N-[2-(azepan-1-yl)-2-(thiophen-2-yl)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-(thiophen-2-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D491-5014 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(c1cc(c2ccc3c(c2)OCCO3)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3977 |
| logD: | 3.1225 |
| logSw: | -3.6945 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.349 |
| InChI Key: | GPCCVPBSPCAOEI-IBGZPJMESA-N |