methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V024-9682 |
| Compound Name: | methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 484.95 |
| Molecular Formula: | C26 H26 Cl F N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)n(C)c1C)=O)N(Cc1ccc(cc1)F)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1454 |
| logD: | 4.1454 |
| logSw: | -4.7206 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.263 |
| InChI Key: | BLPAHXPFHZTOJA-KRWDZBQOSA-N |