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

Formula:C30H26N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C30H26N6O2S
Smiles	O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C30H26N6O2S/c37-29(34-32-20-23-11-10-18-27(19-23)38-26-16-8-3-9-17-26)22-39-30-35-33-28(21-31-24-12-4-1-5-13-24)36(30)25-14-6-2-7-15-25/h1-20,31H,21-22H2,(H,34,37)
InChIK	KFFOVPVLXISNBS-UHFFFAOYSA-N
TotalMolweight	534.642
Molweight	534.642
MonoisotopicMass	534.183794
CLogP	5.239
CLogS	-9.235
H Acceptors	8
H Donors	2
TotalSurfaceArea	419.46
Relative PSA	0.24739
PolarSurfaceArea	118.73
Druglikeness	5.7912
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	4
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon

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

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