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C20H18N6O3S | Cheminformatics

5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C20H18N6O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName : 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C20H18N6O3S

Smiles : NC(N1N=C(CC(N2CCOCC2)=O)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O

InChI : InChI=1S/C20H18N6O3S/c21-18-14(9-12-11-22-15-4-2-1-3-13(12)15)19(28)23-20-26(18)24-16(30-20)10-17(27)25-5-7-29-8-6-25/h1-4,9,11H,5-8,10,21H2

InChIK : KQJFPBOPBOUCRE-UHFFFAOYSA-N

TotalMolweight : 422.468

Molweight : 422.468

MonoisotopicMass : 422.116109

CLogP : 0.0803

CLogS : -3.246

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 298.5

Relative PSA : 0.37008

PolarSurfaceArea : 138.25

Druglikeness : 6.8434

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

BasicNitrogens : 1

StereoCon :

Request More Details | 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one


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