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

Formula:C21H22N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
MolecularFormula	C21H22N5O2ClS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c1ccco1
InChI	InChI=1S/C21H22ClN5O2S/c22-16-10-8-15(9-11-16)20-25-26-21(27(20)17-5-2-1-3-6-17)30-14-19(28)24-23-13-18-7-4-12-29-18/h4,7-13,17H,1-3,5-6,14H2,(H,24,28)
InChIK	XHOWUWYLWIFKSF-UHFFFAOYSA-N
TotalMolweight	443.958
Molweight	443.958
MonoisotopicMass	443.118272
CLogP	4.8407
CLogS	-6.024
H Acceptors	7
H Donors	1
TotalSurfaceArea	337.63
Relative PSA	0.28558
PolarSurfaceArea	110.61
Druglikeness	0.41799
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

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