1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0276 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C24 H28 F3 N5 O3 |
| Smiles: | Cc1cc(C(N2CCN(C(C2)C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7316 |
| logD: | 1.7316 |
| logSw: | -2.4409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.18 |
| InChI Key: | MDWOGKLAACZLHF-NRFANRHFSA-N |