1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S897-0043 |
| Compound Name: | 1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C23 H28 F N3 O4 |
| Smiles: | CCc1nc2CCOCCc2c(n1)OC1CCN(CC1)C(COc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8095 |
| logD: | 2.8095 |
| logSw: | -3.0046 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.1 |
| InChI Key: | VMPVJPSWVVGYSG-UHFFFAOYSA-N |