ethyl 4-[N-(2-chlorobenzoyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(2-chlorobenzoyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(2-chlorobenzoyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-1545 |
| Compound Name: | ethyl 4-[N-(2-chlorobenzoyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C23 H29 Cl N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CC(C)C)C(c2ccccc2[Cl])=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.543 |
| logD: | 4.543 |
| logSw: | -4.8198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.287 |
| InChI Key: | JOLYFOBGDGFWFS-INIZCTEOSA-N |