3-[4-(benzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(benzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(benzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2522 |
| Compound Name: | 3-[4-(benzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | C1CCN(C1)C(CCc1ccc2c(CN(CCO2)S(c2ccccc2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1856 |
| logD: | 3.1856 |
| logSw: | -3.3295 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.381 |
| InChI Key: | VSQWFVMTWPDARJ-UHFFFAOYSA-N |