4-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-0997 |
| Compound Name: | 4-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C17 H27 N3 O4 S |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0949 |
| logD: | 2.0949 |
| logSw: | -2.0976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.965 |
| InChI Key: | ATCOTAZKEOVAED-UHFFFAOYSA-N |