methyl 4-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8014-3093 |
| Compound Name: | methyl 4-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | COC(c1ccc(CSc2nnc(c3ccccc3)n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3037 |
| logD: | 5.3037 |
| logSw: | -5.4063 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.143 |
| InChI Key: | FQYMASGHLUKZIE-UHFFFAOYSA-N |