methyl 4-[N-(2-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(2-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(2-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4246 |
| Compound Name: | methyl 4-[N-(2-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C22 H25 Cl N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC1CC1)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.839 |
| logD: | 3.839 |
| logSw: | -4.4782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.959 |
| InChI Key: | AQIAALJFWNTCGP-AWEZNQCLSA-N |