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

Formula:C23H24N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-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-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormula	C23H24N5O2ClS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C23H24ClN5O2S/c24-18-12-10-17(11-13-18)22-27-28-23(29(22)19-6-2-1-3-7-19)32-16-21(30)26-25-14-4-8-20-9-5-15-31-20/h4-5,8-15,19H,1-3,6-7,16H2,(H,26,30)
InChIK	XZXJZUMDRAAORR-UHFFFAOYSA-N
TotalMolweight	469.996
Molweight	469.996
MonoisotopicMass	469.133922
CLogP	4.859
CLogS	-6.316
H Acceptors	7
H Donors	1
TotalSurfaceArea	364.13
Relative PSA	0.2648
PolarSurfaceArea	110.61
Druglikeness	0.45591
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

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