rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1677 |
| Compound Name: | rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 368.47 |
| Molecular Formula: | C15 H20 N4 O3 S2 |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1537 |
| logD: | 1.1246 |
| logSw: | -2.0986 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.476 |
| InChI Key: | UZFRIMMGNICYMF-YPMHNXCESA-N |