2-{[4-(1-methyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(1-methyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(1-methyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V011-2743 |
| Compound Name: | 2-{[4-(1-methyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 475.47 |
| Molecular Formula: | C24 H24 F3 N3 O4 |
| Salt: | not_available |
| Smiles: | Cn1cccc1C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3175 |
| logD: | 3.3172 |
| logSw: | -3.4433 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.756 |
| InChI Key: | CTELKEMTKNQQJV-UHFFFAOYSA-N |