3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{3-[(propan-2-yl)oxy]propyl}propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{3-[(propan-2-yl)oxy]propyl}propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{3-[(propan-2-yl)oxy]propyl}propanamide
Compound characteristics
| Compound ID: | S629-0785 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{3-[(propan-2-yl)oxy]propyl}propanamide |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C20 H30 N2 O4 |
| Smiles: | CC(C)OCCCNC(CCc1ccc2c(CN(CCO2)C(C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4851 |
| logD: | 1.4851 |
| logSw: | -2.2532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.084 |
| InChI Key: | YYQQMKIZYGSLBA-UHFFFAOYSA-N |