2-[[4-[(Z)-(4-bromophenyl)methylideneamino]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide

Formula:C26H34N5OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-[(Z)-(4-bromophenyl)methylideneamino]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide is not a drug-like molecule.

MolName	2-[[4-[(Z)-(4-bromophenyl)methylideneamino]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide
MolecularFormula	C26H34N5OBrS
Smiles	O=C(CSc1nnc(C2CC2)n1/N=C\c(cc1)ccc1Br)N(C1CCCCC1)C1CCCCC1
InChI	InChI=1S/C26H34BrN5OS/c27-21-15-11-19(12-16-21)17-28-32-25(20-13-14-20)29-30-26(32)34-18-24(33)31(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h11-12,15-17,20,22-23H,1-10,13-14,18H2
InChIK	XWWSRPWTYIZXTC-UHFFFAOYSA-N
TotalMolweight	544.56
Molweight	544.56
MonoisotopicMass	543.166741
CLogP	6.2254
CLogS	-8.487
H Acceptors	6
TotalSurfaceArea	384.55
Relative PSA	0.19347
PolarSurfaceArea	88.68
Druglikeness	-6.0167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	17
Symmetricatoms	11
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4-[(Z)-(4-bromophenyl)methylideneamino]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide | 2 - 2-[[4-[(Z)-(4-bromophenyl)methylideneamino]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide

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