2-(propan-2-yl)-4-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-(propan-2-yl)-4-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-(propan-2-yl)-4-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-0936 |
| Compound Name: | 2-(propan-2-yl)-4-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)S(c1cccnc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6418 |
| logD: | 2.6418 |
| logSw: | -2.4818 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.719 |
| InChI Key: | KKAVGXMANMRMFG-UHFFFAOYSA-N |