N-[(2-chlorophenyl)methyl]-1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidine-4-carboxamide
N-[(2-chlorophenyl)methyl]-1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | S896-0387 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-1-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C22 H27 Cl N4 O2 |
| Smiles: | Cc1nc2CCOCCc2c(n1)N1CCC(CC1)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3222 |
| logD: | 3.3113 |
| logSw: | -3.4819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.882 |
| InChI Key: | GOHYZUKKDQBUDH-UHFFFAOYSA-N |