N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D647-0249 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C26 H28 Cl N3 O4 |
| Smiles: | [H]N(CC(c1ccccc1[Cl])N1CCCCCC1)C(c1cc(c2ccc3c(c2)OCCO3)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.361 |
| logD: | 4.2197 |
| logSw: | -4.5264 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.33 |
| InChI Key: | LTHLUVOMOFDWAP-QFIPXVFZSA-N |