methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-7954 |
| Compound Name: | methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C27 H28 Cl F N2 O4 |
| Smiles: | CCn1c(C)c(C(C(C)N(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)=O)c(C)c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7634 |
| logD: | 4.7634 |
| logSw: | -5.0791 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.178 |
| InChI Key: | MBTOGZUEPMTLCH-SFHVURJKSA-N |