N-(2-chlorophenyl)-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide
N-(2-chlorophenyl)-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S897-1029 |
| Compound Name: | N-(2-chlorophenyl)-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C23 H29 Cl N4 O3 |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)C(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2581 |
| logD: | 4.2581 |
| logSw: | -4.2622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.261 |
| InChI Key: | XHUZRDBUBVTTCS-UHFFFAOYSA-N |