methyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V030-5398 |
| Compound Name: | methyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C19 H18 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1311 |
| logD: | 4.1305 |
| logSw: | -4.4361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.487 |
| InChI Key: | OVBKBGFWMRHTRZ-LBPRGKRZSA-N |