ethyl 4-{N-(4-fluorobenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(4-fluorobenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(4-fluorobenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V020-7418 |
| Compound Name: | ethyl 4-{N-(4-fluorobenzoyl)-N-[(pyridin-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C25 H26 F N3 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(Cc2ccccn2)C(c2ccc(cc2)F)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3781 |
| logD: | 3.3781 |
| logSw: | -3.5089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.559 |
| InChI Key: | ACTZQRXACPIHJZ-KRWDZBQOSA-N |