4-(4-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(4-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(4-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0047 |
| Compound Name: | 4-(4-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | COc1ccc(cc1)S(N1CCOc2ccc(CN3CCOCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4696 |
| logD: | 2.3929 |
| logSw: | -2.7551 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.078 |
| InChI Key: | XKMYXBKDZAPZKZ-UHFFFAOYSA-N |