2-ethyl-4-{[1-(propane-1-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-ethyl-4-{[1-(propane-1-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-ethyl-4-{[1-(propane-1-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-0011 |
| Compound Name: | 2-ethyl-4-{[1-(propane-1-sulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C18 H29 N3 O4 S |
| Smiles: | CCCS(N1CCC(CC1)Oc1c2CCOCCc2nc(CC)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3094 |
| logD: | 2.3094 |
| logSw: | -2.1896 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.357 |
| InChI Key: | BFZBQVVNNHADPV-UHFFFAOYSA-N |