[(3S)-4-(4-ethylbenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(4-ethylbenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
[(3S)-4-(4-ethylbenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | S979-0496 |
| Compound Name: | [(3S)-4-(4-ethylbenzene-1-sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](morpholin-4-yl)methanone |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | CCc1ccc(cc1)S(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCOCC1)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2145 |
| logD: | 3.2145 |
| logSw: | -3.4685 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.01 |
| InChI Key: | XWOCULXKUKJELM-KRWDZBQOSA-N |