methyl 1-ethyl-4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 1-ethyl-4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-7942 |
| Compound Name: | methyl 1-ethyl-4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 470.56 |
| Molecular Formula: | C25 H27 F N2 O4 S |
| Smiles: | CCn1c(C)c(C(C(C)N(Cc2ccc(cc2)F)C(c2cccs2)=O)=O)c(C)c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3667 |
| logD: | 4.3667 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.196 |
| InChI Key: | WCCQTMHUKIDGEK-KRWDZBQOSA-N |