rel-(9aR,12aS)-1-acetyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-acetyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-acetyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0035 |
| Compound Name: | rel-(9aR,12aS)-1-acetyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C18 H29 N5 O4 S |
| Smiles: | CC(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)S(c1cn(C)c(C)n1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8252 |
| logD: | -0.8252 |
| logSw: | -2.0459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.482 |
| InChI Key: | PYOGZKYPPAEQTE-JKSUJKDBSA-N |