2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

Formula:C30H23N5O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormula	C30H23N5O2Cl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C30H23Cl2N5O2S/c31-24-10-8-23(9-11-24)29-35-36-30(37(29)26-14-12-25(32)13-15-26)40-20-28(38)34-33-18-21-6-16-27(17-7-21)39-19-22-4-2-1-3-5-22/h1-18H,19-20H2,(H,34,38)
InChIK	RBUVWVBCLVMDGQ-UHFFFAOYSA-N
TotalMolweight	588.518
Molweight	588.518
MonoisotopicMass	587.094949
CLogP	7.0919
CLogS	-11.229
H Acceptors	7
H Donors	1
TotalSurfaceArea	438.84
Relative PSA	0.21035
PolarSurfaceArea	106.7
Druglikeness	5.154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	4
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

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