ethyl 3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4234 |
| Compound Name: | ethyl 3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(Cc2ccccn2)C(c2ccc(C)cc2)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7724 |
| logD: | 3.7724 |
| logSw: | -4.111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.559 |
| InChI Key: | JQUOWNWWXZZBDA-IBGZPJMESA-N |