ethyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8404 |
| Compound Name: | ethyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C22 H25 Cl N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CC=C)C(c2ccc(cc2)[Cl])=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1167 |
| logD: | 4.1167 |
| logSw: | -4.7907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.265 |
| InChI Key: | ZJOUMFRKRUVSKT-HNNXBMFYSA-N |