2-{1-[2-chloro-5-(methylsulfanyl)benzoyl]piperidin-4-yl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-{1-[2-chloro-5-(methylsulfanyl)benzoyl]piperidin-4-yl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-{1-[2-chloro-5-(methylsulfanyl)benzoyl]piperidin-4-yl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P222-0201 |
| Compound Name: | 2-{1-[2-chloro-5-(methylsulfanyl)benzoyl]piperidin-4-yl}-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C21 H25 Cl N4 O2 S |
| Smiles: | CN1CCCn2c(cc(C3CCN(CC3)C(c3cc(ccc3[Cl])SC)=O)n2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.427 |
| logD: | 2.427 |
| logSw: | -3.4499 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.745 |
| InChI Key: | CQQWPNWSLDXEEI-UHFFFAOYSA-N |