methyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Chemical Structure Depiction of
methyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
methyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | V004-7134 |
| Compound Name: | methyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate |
| Molecular Weight: | 421.44 |
| Molecular Formula: | C20 H18 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(=O)OC)Sc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5813 |
| logD: | 4.5813 |
| logSw: | -4.5227 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.134 |
| InChI Key: | JMRMJEUUUKAHKB-ZDUSSCGKSA-N |