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

Formula:C23H18N5O2BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormula	C23H18N5O2BrS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Br)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C23H18BrN5O2S/c24-18-10-12-19(13-11-18)29-22(17-6-2-1-3-7-17)27-28-23(29)32-16-21(30)26-25-14-4-8-20-9-5-15-31-20/h1-15H,16H2,(H,26,30)
InChIK	KMUWTXPJQRZQPG-UHFFFAOYSA-N
TotalMolweight	508.399
Molweight	508.399
MonoisotopicMass	507.036456
CLogP	4.464
CLogS	-9.224
H Acceptors	7
H Donors	1
TotalSurfaceArea	359.3
Relative PSA	0.26836
PolarSurfaceArea	110.61
Druglikeness	3.5405
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	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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