2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide

Formula:C26H19N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide
MolecularFormula	C26H19N5O3S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\C1=COc(cccc2)c2C1=O
InChI	InChI=1S/C26H19N5O3S/c32-23(28-27-15-19-16-34-22-14-8-7-13-21(22)24(19)33)17-35-26-30-29-25(18-9-3-1-4-10-18)31(26)20-11-5-2-6-12-20/h1-16H,17H2,(H,28,32)
InChIK	QORCBNZQJHKPMU-UHFFFAOYSA-N
TotalMolweight	481.535
Molweight	481.535
MonoisotopicMass	481.12086
CLogP	3.6492
CLogS	-8.966
H Acceptors	8
H Donors	1
TotalSurfaceArea	363.44
Relative PSA	0.28987
PolarSurfaceArea	123.77
Druglikeness	5.9799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]acetamide

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