4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-1287 |
| Compound Name: | 4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCCN(C1)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1875 |
| logD: | 3.1875 |
| logSw: | -3.3639 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.029 |
| InChI Key: | WUOWXJMQTOEQSR-IBGZPJMESA-N |