ethyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V026-1000 |
| Compound Name: | ethyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C28 H30 Cl F N2 O4 |
| Salt: | not_available |
| Smiles: | CCn1c(C)c(C(C(C)N(Cc2ccc(cc2)F)C(c2ccc(cc2)[Cl])=O)=O)c(C)c1C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3805 |
| logD: | 5.3805 |
| logSw: | -6.2206 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.757 |
| InChI Key: | IMDWHVNOSJZUOB-IBGZPJMESA-N |