rel-(9aR,12aS)-8-methyl-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0369 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 414.47 |
| Molecular Formula: | C20 H29 F3 N4 O2 |
| Smiles: | Cc1cc(C(F)(F)F)nn1CC(N1CCCCCCN(C)C([C@@H]2CCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7953 |
| logD: | 1.7953 |
| logSw: | -2.5162 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.88 |
| InChI Key: | HMIFGWWXRRSBAZ-CVEARBPZSA-N |