4-{[1-(benzenesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-{[1-(benzenesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-{[1-(benzenesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-1284 |
| Compound Name: | 4-{[1-(benzenesulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCCN(C1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3841 |
| logD: | 3.3841 |
| logSw: | -3.7342 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.134 |
| InChI Key: | VVIOFAMMKSRQEK-KRWDZBQOSA-N |