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C23H19N5O5S2 | Cheminformatics
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[4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate

Molecular Formula : C23H19N5O5S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.

MolName : [4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate

MolecularFormula : C23H19N5O5S2

Smiles : N=C(/C1=C/c(cc2)ccc2OC(c2cccs2)=O)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C23H19N5O5S2/c24-20-16(12-14-3-5-15(6-4-14)33-22(31)17-2-1-11-34-17)21(30)25-23-28(20)26-18(35-23)13-19(29)27-7-9-32-10-8-27/h1-6,11-12,24H,7-10,13H2

InChIK : OUYINXSCHJWSGQ-UHFFFAOYSA-N

TotalMolweight : 509.566

Molweight : 509.566

MonoisotopicMass : 509.08276

CLogP : 1.2246

CLogS : -2.758

H Acceptors : 10

H Donors : 1

TotalSurfaceArea : 359.56

Relative PSA : 0.39685

PolarSurfaceArea : 178.26

Druglikeness : 7.0101

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.6

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - [4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate
2 - [4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate
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Request More Details | [4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate


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