4-{[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-{[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-{[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-1345 |
| Compound Name: | 4-{[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-3-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 479.57 |
| Molecular Formula: | C23 H30 F N3 O5 S |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCCN(C1)S(c1cc(ccc1OC)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4255 |
| logD: | 3.4255 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.765 |
| InChI Key: | BZGRNWGSKXAWFP-KRWDZBQOSA-N |