rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1816 |
| Compound Name: | rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccccc1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8933 |
| logD: | 2.8902 |
| logSw: | -3.1583 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.489 |
| InChI Key: | MUVUONJKBOZMMO-MJGOQNOKSA-N |