N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(propan-2-yl)urea
N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | S896-0652 |
| Compound Name: | N-[1-(2-cyclopentyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidin-4-yl]-N'-(propan-2-yl)urea |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C22 H35 N5 O2 |
| Smiles: | CC(C)NC(NC1CCN(CC1)c1c2CCOCCc2nc(C2CCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6922 |
| logD: | 3.6212 |
| logSw: | -3.7908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.869 |
| InChI Key: | PIIYIJRRBKIHTM-UHFFFAOYSA-N |