2-{1-[3-(benzenesulfonyl)propanoyl]piperidin-3-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-{1-[3-(benzenesulfonyl)propanoyl]piperidin-3-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-{1-[3-(benzenesulfonyl)propanoyl]piperidin-3-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P223-1618 |
| Compound Name: | 2-{1-[3-(benzenesulfonyl)propanoyl]piperidin-3-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Smiles: | CCN1CCCn2c(cc(C3CCCN(C3)C(CCS(c3ccccc3)(=O)=O)=O)n2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2183 |
| logD: | 1.2183 |
| logSw: | -2.3309 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.197 |
| InChI Key: | NTRKJWQGYRRTRF-SFHVURJKSA-N |