1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(thiophen-2-yl)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-(thiophen-2-yl)ethan-1-one
1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S897-0030 |
| Compound Name: | 1-{4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CCc1nc2CCOCCc2c(n1)OC1CCN(CC1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8298 |
| logD: | 2.8298 |
| logSw: | -2.9952 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.62 |
| InChI Key: | CIAGHUNZUBLISD-UHFFFAOYSA-N |