methyl 4-[N-(2-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(2-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(2-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V024-5382 |
| Compound Name: | methyl 4-[N-(2-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 461 |
| Molecular Formula: | C25 H33 Cl N2 O4 |
| Smiles: | CCn1c(C)c(C(C(C)N(CCC(C)C)C(c2ccccc2[Cl])=O)=O)c(C)c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0443 |
| logD: | 5.0443 |
| logSw: | -5.2506 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.427 |
| InChI Key: | UZXNGPHXHWGSFY-SFHVURJKSA-N |