3-[(pyrrolidin-1-yl)methyl]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(pyrrolidin-1-yl)methyl]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2H-1-benzopyran-2-one
3-[(pyrrolidin-1-yl)methyl]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C301-4055 |
| Compound Name: | 3-[(pyrrolidin-1-yl)methyl]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C25 H26 F3 N3 O2 |
| Smiles: | C1CCN(C1)CC1=C(c2ccccc2OC1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6478 |
| logD: | 2.9022 |
| logSw: | -4.7145 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.89 |
| InChI Key: | QEZQEBQQPRSZHM-UHFFFAOYSA-N |