3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1326 |
| Compound Name: | 3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C20 H22 N2 O3 |
| Smiles: | Cc1cccc(c1)C(N1CCOc2ccc(CCC(N)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2162 |
| logD: | 2.2162 |
| logSw: | -2.4901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.219 |
| InChI Key: | IRLCXIHTCPIDSC-UHFFFAOYSA-N |