ethyl 4-[N-(4-chlorobenzoyl)-N-(2-methylpropyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(4-chlorobenzoyl)-N-(2-methylpropyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(4-chlorobenzoyl)-N-(2-methylpropyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V024-9560 |
| Compound Name: | ethyl 4-[N-(4-chlorobenzoyl)-N-(2-methylpropyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C22 H27 Cl N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(CN(CC(C)C)C(c2ccc(cc2)[Cl])=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1573 |
| logD: | 4.1573 |
| logSw: | -4.7661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.431 |
| InChI Key: | FKIBHTJDVCIPRZ-UHFFFAOYSA-N |