3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2-methylpropyl)propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | S629-0108 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | CC(C)CNC(CCc1ccc2c(CN(CCO2)C(C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9678 |
| logD: | 1.9678 |
| logSw: | -2.7288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.042 |
| InChI Key: | JNBOAPTWIAYDMY-UHFFFAOYSA-N |