rel-(9aR,12aS)-5-[(4-fluorophenoxy)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-5-[(4-fluorophenoxy)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-5-[(4-fluorophenoxy)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0931 |
| Compound Name: | rel-(9aR,12aS)-5-[(4-fluorophenoxy)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C20 H28 F N3 O5 S |
| Smiles: | CS(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)C(COc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.2215 |
| logD: | 0.2215 |
| logSw: | -2.3394 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.906 |
| InChI Key: | CRJYLRFLHBFACR-MSOLQXFVSA-N |