rel-(5aR,9aR)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1682 |
| Compound Name: | rel-(5aR,9aR)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C17 H24 N2 O5 S |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2782 |
| logD: | 0.2491 |
| logSw: | -2.1758 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.346 |
| InChI Key: | GYCQYHQRDVIOAZ-HIFRSBDPSA-N |