2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-0673 |
| Compound Name: | 2-ethyl-4-{[1-(phenylmethanesulfonyl)piperidin-3-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)OC1CCCN(C1)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7358 |
| logD: | 2.7358 |
| logSw: | -3.0074 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.019 |
| InChI Key: | VGVFKQDRDDQZHO-SFHVURJKSA-N |