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C16H15N5O4S | Cheminformatics

(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C16H15N5O4S | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName : (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C16H15N5O4S

Smiles : N=C(/C1=C/c2ccco2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C16H15N5O4S/c17-14-11(8-10-2-1-5-25-10)15(23)18-16-21(14)19-12(26-16)9-13(22)20-3-6-24-7-4-20/h1-2,5,8,17H,3-4,6-7,9H2

InChIK : NPBOTVRQFCZBGT-UHFFFAOYSA-N

TotalMolweight : 373.392

Molweight : 373.392

MonoisotopicMass : 373.084475

CLogP : -0.8838

CLogS : -0.96

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 265.8

Relative PSA : 0.42664

PolarSurfaceArea : 136.86

Druglikeness : 6.3436

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.57692

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

BasicNitrogens : 1

StereoCon :

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


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