4-(2-methylbenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(2-methylbenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(2-methylbenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0044 |
| Compound Name: | 4-(2-methylbenzene-1-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | Cc1ccccc1S(N1CCOc2ccc(CN3CCOCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6138 |
| logD: | 2.537 |
| logSw: | -2.7504 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.535 |
| InChI Key: | LKEBPMDZDIWUED-UHFFFAOYSA-N |