2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

Formula:C22H17N6O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormula	C22H17N6O2ClS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C22H17ClN6O2S/c23-17-5-7-18(8-6-17)29-21(16-9-12-24-13-10-16)27-28-22(29)32-15-20(30)26-25-11-1-3-19-4-2-14-31-19/h1-14H,15H2,(H,26,30)
InChIK	SAOVNYZSWYKMDM-UHFFFAOYSA-N
TotalMolweight	464.936
Molweight	464.936
MonoisotopicMass	464.082221
CLogP	3.3439
CLogS	-8.331
H Acceptors	8
H Donors	1
TotalSurfaceArea	354.85
Relative PSA	0.30263
PolarSurfaceArea	123.5
Druglikeness	5.3854
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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1 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

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