ethyl 4-[N-(4-methoxybenzoyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(4-methoxybenzoyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(4-methoxybenzoyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4914 |
| Compound Name: | ethyl 4-[N-(4-methoxybenzoyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C21 H26 N2 O5 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(C)C(c2ccc(cc2)OC)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6428 |
| logD: | 2.6428 |
| logSw: | -2.7726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.577 |
| InChI Key: | OEXHQAJBIAPMMY-AWEZNQCLSA-N |