rel-(9aR,12aS)-5-(3-fluoropyridine-2-carbonyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-5-(3-fluoropyridine-2-carbonyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-5-(3-fluoropyridine-2-carbonyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0946 |
| Compound Name: | rel-(9aR,12aS)-5-(3-fluoropyridine-2-carbonyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C18 H25 F N4 O4 S |
| Smiles: | CS(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)C(c1c(cccn1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2994 |
| logD: | -0.2994 |
| logSw: | -2.242 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.752 |
| InChI Key: | VYSJVFHCFLKFQD-HIFRSBDPSA-N |