3-{4-[(5-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-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(5-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: | S629-2738 |
| Compound Name: | 3-{4-[(5-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: | Cc1ccc(CN2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0986 |
| logD: | 1.2187 |
| logSw: | -3.1534 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.963 |
| InChI Key: | VFKMOZPEHIIOBG-UHFFFAOYSA-N |