2-{1-[3-(trifluoromethyl)benzene-1-sulfonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-{1-[3-(trifluoromethyl)benzene-1-sulfonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-{1-[3-(trifluoromethyl)benzene-1-sulfonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P222-0900 |
| Compound Name: | 2-{1-[3-(trifluoromethyl)benzene-1-sulfonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 442.46 |
| Molecular Formula: | C19 H21 F3 N4 O3 S |
| Smiles: | [H]N1CCCn2c(cc(C3CCN(CC3)S(c3cccc(c3)C(F)(F)F)(=O)=O)n2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.3713 |
| logD: | 2.3713 |
| logSw: | -2.9105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.475 |
| InChI Key: | PNNSHODQPKWJOW-UHFFFAOYSA-N |