1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S897-0720 |
| Compound Name: | 1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | CCc1nc2CCOCCc2c(n1)OC1CCCN(C1)C(CCc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5642 |
| logD: | 3.5642 |
| logSw: | -3.5383 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.078 |
| InChI Key: | WENZCZDADBKEDX-FQEVSTJZSA-N |