methyl 4-[N-(2-chlorobenzoyl)-N-propylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(2-chlorobenzoyl)-N-propylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(2-chlorobenzoyl)-N-propylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V027-8014 |
| Compound Name: | methyl 4-[N-(2-chlorobenzoyl)-N-propylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 404.89 |
| Molecular Formula: | C21 H25 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | CCCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7298 |
| logD: | 3.7298 |
| logSw: | -4.4179 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.686 |
| InChI Key: | WJSSQHUTPBEVPE-AWEZNQCLSA-N |