methyl 4-[N-(4-chlorobenzoyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-1004 |
| Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C21 H25 Cl N2 O5 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CCOC)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1316 |
| logD: | 3.1316 |
| logSw: | -3.9502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.028 |
| InChI Key: | JCJUTYPDBAODQN-AWEZNQCLSA-N |