(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-phenylmethoxyphenyl)methanimine
Formula:C29H24N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-phenylmethoxyphenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C29H24N4OS |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 |
| InChI | InChI=1S/C29H24N4OS/c1-4-10-24(11-5-1)21-34-27-18-16-23(17-19-27)20-30-33-28(26-14-8-3-9-15-26)31-32-29(33)35-22-25-12-6-2-7-13-25/h1-20H,21-22H2 |
| InChIK | YLLUCMAAWNILQJ-UHFFFAOYSA-N |
| TotalMolweight | 476.603 |
| Molweight | 476.603 |
| MonoisotopicMass | 476.167081 |
| CLogP | 6.4229 |
| CLogS | -9.994 |
| H Acceptors | 5 |
| TotalSurfaceArea | 378.79 |
| Relative PSA | 0.17902 |
| PolarSurfaceArea | 77.6 |
| Druglikeness | 3.2682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| 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 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-phenylmethoxyphenyl)methanimine | 2 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-phenylmethoxyphenyl)methanimine
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