rel-(5aR,9aR)-1-benzyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1813 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccccc1)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6984 |
| logD: | 2.6953 |
| logSw: | -2.8776 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.07 |
| InChI Key: | QLHAVYJAKVULBT-YADHBBJMSA-N |