5-ethyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
5-ethyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
5-ethyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P222-0382 |
| Compound Name: | 5-ethyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | CCN1CCCn2c(cc(C3CCN(CC3)C(c3cccnc3SC)=O)n2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7402 |
| logD: | 1.7402 |
| logSw: | -2.4454 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.934 |
| InChI Key: | YFKNBVGDNMFSMA-UHFFFAOYSA-N |