rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0250 |
| Compound Name: | rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C16 H26 N4 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CCCCCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.586 |
| logD: | 0.586 |
| logSw: | -2.1246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.125 |
| InChI Key: | HLPZYCPYJIGUST-KGLIPLIRSA-N |