[(3S)-4-(5-fluoro-2-methoxybenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(5-fluoro-2-methoxybenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-4-(5-fluoro-2-methoxybenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0341 |
| Compound Name: | [(3S)-4-(5-fluoro-2-methoxybenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 448.51 |
| Molecular Formula: | C22 H25 F N2 O5 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1S(c1cc(ccc1OC)F)(=O)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0433 |
| logD: | 3.0433 |
| logSw: | -3.3583 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.098 |
| InChI Key: | JETQUSJRCLEJGU-HNNXBMFYSA-N |