rel-(9aR,12aS)-1-acetyl-5-(4-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-acetyl-5-(4-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-acetyl-5-(4-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0029 |
| Compound Name: | rel-(9aR,12aS)-1-acetyl-5-(4-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 411.49 |
| Molecular Formula: | C19 H26 F N3 O4 S |
| Smiles: | CC(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7445 |
| logD: | 0.7445 |
| logSw: | -2.5583 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.132 |
| InChI Key: | INDMKOCKHJSWLH-ZWKOTPCHSA-N |