N-(2-chlorophenyl)-3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide
N-(2-chlorophenyl)-3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S897-0824 |
| Compound Name: | N-(2-chlorophenyl)-3-[(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)OC1CCCN(C1)C(Nc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8071 |
| logD: | 3.8071 |
| logSw: | -4.0076 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.185 |
| InChI Key: | KMXICOSLKLBYIS-HNNXBMFYSA-N |