methyl 3-({[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-4912 |
| Compound Name: | methyl 3-({[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C18 H16 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)[Cl])SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8343 |
| logD: | 3.8343 |
| logSw: | -4.2397 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.935 |
| InChI Key: | KAOLNOHLZTUPOU-UHFFFAOYSA-N |