ethyl 4-{N-(2-methoxyethyl)-N-[4-(trifluoromethyl)benzoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(2-methoxyethyl)-N-[4-(trifluoromethyl)benzoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(2-methoxyethyl)-N-[4-(trifluoromethyl)benzoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V029-1309 |
| Compound Name: | ethyl 4-{N-(2-methoxyethyl)-N-[4-(trifluoromethyl)benzoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C23 H27 F3 N2 O5 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CCOC)C(c2ccc(cc2)C(F)(F)F)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7682 |
| logD: | 3.7682 |
| logSw: | -4.2561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.608 |
| InChI Key: | NKVOBOSQMQVXIW-HNNXBMFYSA-N |