3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2614 |
| Compound Name: | 3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | Cc1ccc(C(N2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9396 |
| logD: | 2.9396 |
| logSw: | -3.1714 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.879 |
| InChI Key: | RRQLVDUUCIAEGK-UHFFFAOYSA-N |