2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
Compound ID: | S897-0005 |
Compound Name: | 2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-4-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
Molecular Weight: | 431.55 |
Molecular Formula: | C22 H29 N3 O4 S |
Smiles: | CCc1nc2CCOCCc2c(n1)OC1CCN(CC1)S(Cc1ccccc1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9275 |
logD: | 2.9275 |
logSw: | -3.2289 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 68.086 |
InChI Key: | HYISHEWESOJUDY-UHFFFAOYSA-N |