ethyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V026-7152 |
| Compound Name: | ethyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C22 H27 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(C(C)C)C(c2ccccc2[Cl])=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8738 |
| logD: | 3.8738 |
| logSw: | -4.5661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.139 |
| InChI Key: | MOTXSESBGVFQOP-HNNXBMFYSA-N |