rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1954 |
| Compound Name: | rel-(5aR,9aR)-8-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C20 H23 N5 O3 S2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5801 |
| logD: | 1.5794 |
| logSw: | -1.6279 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.007 |
| InChI Key: | OAPMCPNAOXFAIA-AEFFLSMTSA-N |