N-(2-chlorophenyl)-4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide
N-(2-chlorophenyl)-4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S897-0095 |
| Compound Name: | N-(2-chlorophenyl)-4-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C22 H27 Cl N4 O3 |
| Smiles: | CCc1nc2CCOCCc2c(n1)OC1CCN(CC1)C(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8064 |
| logD: | 3.8064 |
| logSw: | -4.0289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.252 |
| InChI Key: | OGQRZKIJYKUFSS-UHFFFAOYSA-N |