rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S795-0256 |
| Compound Name: | rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C17 H22 N4 O4 S2 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCCN2S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.2052 |
| logD: | 1.2052 |
| logSw: | -2.2796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.575 |
| InChI Key: | VGBDIMKSWNCDST-OCCSQVGLSA-N |