N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula:C20H16N6O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C20H16N6O2S
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\c1ccco1
InChI	InChI=1S/C20H16N6O2S/c27-18(23-22-13-17-7-4-12-28-17)14-29-20-25-24-19(15-8-10-21-11-9-15)26(20)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,27)
InChIK	KMBYQPDZCRJDEL-UHFFFAOYSA-N
TotalMolweight	404.453
Molweight	404.453
MonoisotopicMass	404.105544
CLogP	2.7196
CLogS	-7.303
H Acceptors	8
H Donors	1
TotalSurfaceArea	312.93
Relative PSA	0.34318
PolarSurfaceArea	123.5
Druglikeness	5.2993
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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