rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0259 |
| Compound Name: | rel-(9aR,12aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C18 H24 N4 O3 S2 |
| Smiles: | C1CCCN([C@H]2CCC[C@H]2C(NCC1)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3908 |
| logD: | 2.3908 |
| logSw: | -2.7558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.666 |
| InChI Key: | IDTTVQBWYQZBDR-HIFRSBDPSA-N |