3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2743 |
| Compound Name: | 3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Smiles: | Cc1ccsc1CN1CCOc2ccc(CCC(N3CCOCC3)=O)cc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.9944 |
| logD: | 2.273 |
| logSw: | -3.0693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.963 |
| InChI Key: | CPZDMHIPJDPWMH-UHFFFAOYSA-N |