1-{3-[(2-cyclopropyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{3-[(2-cyclopropyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3,3-dimethylbutan-1-one
1-{3-[(2-cyclopropyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | S897-0601 |
| Compound Name: | 1-{3-[(2-cyclopropyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | CC(C)(C)CC(N1CCCC(C1)Oc1c2CCOCCc2nc(C2CC2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.824 |
| logD: | 3.824 |
| logSw: | -3.9227 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.067 |
| InChI Key: | STQRCQCIUAEMNP-INIZCTEOSA-N |