methyl 3-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-4936 |
| Compound Name: | methyl 3-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(Cc2ccccc2)nnc1SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.475 |
| logD: | 5.475 |
| logSw: | -5.4843 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.862 |
| InChI Key: | NXKJPWHTYRFIAJ-UHFFFAOYSA-N |