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

Formula:C29H22N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)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-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C29H22N5O2ClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C29H22ClN5O2S/c30-23-14-16-24(17-15-23)35-28(22-9-3-1-4-10-22)33-34-29(35)38-20-27(36)32-31-19-21-8-7-13-26(18-21)37-25-11-5-2-6-12-25/h1-19H,20H2,(H,32,36)
InChIK	LJZNKWZRJQCZCI-UHFFFAOYSA-N
TotalMolweight	540.046
Molweight	540.046
MonoisotopicMass	539.118272
CLogP	6.5334
CLogS	-11.449
H Acceptors	7
H Donors	1
TotalSurfaceArea	409.66
Relative PSA	0.22533
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	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments