methyl 3-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-4983 |
| Compound Name: | methyl 3-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(C)nnc1SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6932 |
| logD: | 3.6932 |
| logSw: | -3.94 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.935 |
| InChI Key: | FZUMMVFDZMKUQD-UHFFFAOYSA-N |