rel-(9aR,12aS)-1-acetyl-5-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-acetyl-5-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-acetyl-5-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0019 |
| Compound Name: | rel-(9aR,12aS)-1-acetyl-5-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | CC(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)S(c1cccc(c1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6951 |
| logD: | 0.6951 |
| logSw: | -2.5717 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | BSJBFZSREOJAMO-RBUKOAKNSA-N |