4-(3-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(3-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(3-methoxybenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0031 |
| Compound Name: | 4-(3-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: | COc1cccc(c1)S(N1CCOc2ccc(CN3CCOCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4669 |
| logD: | 2.3901 |
| logSw: | -2.7166 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.078 |
| InChI Key: | XPQVRPIUCUPPGB-UHFFFAOYSA-N |