ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-4099 |
| Compound Name: | ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 461 |
| Molecular Formula: | C25 H33 Cl N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CCC(C)C)C(c2ccc(cc2)[Cl])=O)=O)c(C)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0436 |
| logD: | 5.0436 |
| logSw: | -5.3877 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.092 |
| InChI Key: | POFYCSQENROSFA-SFHVURJKSA-N |