3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(pyridin-3-yl)methyl]propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(pyridin-3-yl)methyl]propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(pyridin-3-yl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0040 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(pyridin-3-yl)methyl]propanamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | CC(N1CCOc2ccc(CCC(NCc3cccnc3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2499 |
| logD: | 1.2475 |
| logSw: | -1.5706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.288 |
| InChI Key: | KLDVHCYALJARFN-UHFFFAOYSA-N |