[(3S)-4-(benzenesulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(benzenesulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-4-(benzenesulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0310 |
| Compound Name: | [(3S)-4-(benzenesulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1S(c1ccccc1)(=O)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9702 |
| logD: | 2.9702 |
| logSw: | -3.4229 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.468 |
| InChI Key: | HKKQDEQBGULBTC-INIZCTEOSA-N |