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

Formula:C30H24N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormula	C30H24N5O2ClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1cc(OCc2ccccc2)ccc1
InChI	InChI=1S/C30H24ClN5O2S/c31-25-14-16-26(17-15-25)36-29(24-11-5-2-6-12-24)34-35-30(36)39-21-28(37)33-32-19-23-10-7-13-27(18-23)38-20-22-8-3-1-4-9-22/h1-19H,20-21H2,(H,33,37)
InChIK	LNACIPBMSZQKSF-UHFFFAOYSA-N
TotalMolweight	554.073
Molweight	554.073
MonoisotopicMass	553.133922
CLogP	6.4859
CLogS	-10.493
H Acceptors	7
H Donors	1
TotalSurfaceArea	423.42
Relative PSA	0.21801
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	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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