ethyl 4-{N-benzoyl-N-[2-(pyridin-2-yl)ethyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-benzoyl-N-[2-(pyridin-2-yl)ethyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-benzoyl-N-[2-(pyridin-2-yl)ethyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-4371 |
| Compound Name: | ethyl 4-{N-benzoyl-N-[2-(pyridin-2-yl)ethyl]alanyl}-3,5-dimethyl-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(CCc2ccccn2)C(c2ccccc2)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.671 |
| logD: | 3.6709 |
| logSw: | -3.8898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.537 |
| InChI Key: | YCDHKAKMIFZGRT-IBGZPJMESA-N |