4-(2-methylbenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(2-methylbenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(2-methylbenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0786 |
| Compound Name: | 4-(2-methylbenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Smiles: | Cc1ccccc1S(N1CCOc2ccc(CN3CCCCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7207 |
| logD: | 1.991 |
| logSw: | -3.7196 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.626 |
| InChI Key: | XZDGLCALKFHGRC-UHFFFAOYSA-N |