ethyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V031-0637 |
| Compound Name: | ethyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C27 H28 Cl F N2 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)=O)c(C)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4954 |
| logD: | 4.4954 |
| logSw: | -4.896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.843 |
| InChI Key: | SXTIOFKHTRGPKL-SFHVURJKSA-N |