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

Formula:C29H21N5O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C29H21N5O2Cl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C29H21Cl2N5O2S/c30-22-11-9-21(10-12-22)28-34-35-29(36(28)24-15-13-23(31)14-16-24)39-19-27(37)33-32-18-20-5-4-8-26(17-20)38-25-6-2-1-3-7-25/h1-18H,19H2,(H,33,37)
InChIK	SJGDPFJHMMNZCU-UHFFFAOYSA-N
TotalMolweight	574.491
Molweight	574.491
MonoisotopicMass	573.079299
CLogP	7.1394
CLogS	-12.185
H Acceptors	7
H Donors	1
TotalSurfaceArea	425.08
Relative PSA	0.21716
PolarSurfaceArea	106.7
Druglikeness	5.3697
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	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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