ethyl 4-[N-(4-chlorobenzoyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(4-chlorobenzoyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(4-chlorobenzoyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-2451 |
| Compound Name: | ethyl 4-[N-(4-chlorobenzoyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 404.89 |
| Molecular Formula: | C21 H25 Cl N2 O4 |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OCC)[nH]c1C)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8714 |
| logD: | 3.8714 |
| logSw: | -4.7853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.012 |
| InChI Key: | RYNZDLJZHAHBFD-AWEZNQCLSA-N |