3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-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-(pyrrolidin-1-yl)propan-1-one
3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2297 |
| Compound Name: | 3-[4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | Cc1ccc(C(N2CCOc3ccc(CCC(N4CCCC4)=O)cc3C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8793 |
| logD: | 3.8793 |
| logSw: | -3.8453 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.336 |
| InChI Key: | WKAXTQQHXYHCPY-UHFFFAOYSA-N |