2-[1-(2,5-dimethoxybenzene-1-sulfonyl)piperidin-3-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-[1-(2,5-dimethoxybenzene-1-sulfonyl)piperidin-3-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-[1-(2,5-dimethoxybenzene-1-sulfonyl)piperidin-3-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P223-0963 |
| Compound Name: | 2-[1-(2,5-dimethoxybenzene-1-sulfonyl)piperidin-3-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CN1CCCn2c(cc(C3CCCN(C3)S(c3cc(ccc3OC)OC)(=O)=O)n2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1398 |
| logD: | 1.1398 |
| logSw: | -2.3359 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.915 |
| InChI Key: | XIHPVQORHUOGLG-HNNXBMFYSA-N |