methyl 2-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V004-8860 |
| Compound Name: | methyl 2-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nnc(n1c1ccccc1)SCc1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3812 |
| logD: | 5.3812 |
| logSw: | -5.4569 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.886 |
| InChI Key: | BMUFTRVWFNFJSZ-UHFFFAOYSA-N |