rel-(8aR,11aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
rel-(8aR,11aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S798-0256 |
| Compound Name: | rel-(8aR,11aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C16 H20 N4 O4 S2 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCN2S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0094 |
| logD: | 1.0094 |
| logSw: | -2.287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.575 |
| InChI Key: | WPHHZMPLWAVNKO-YPMHNXCESA-N |