1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one--hydrogen chloride (1/1)
1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S635-0161 |
| Compound Name: | 1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 396.84 |
| Molecular Formula: | C16 H23 F3 N4 O2 |
| Salt: | HCl |
| Smiles: | Cc1cc(C(F)(F)F)nn1CC(N1CC(CO)C2(CCNCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4769 |
| logD: | -3.3336 |
| logSw: | -1.1093 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.789 |
| InChI Key: | KGEAQYXCFLQDFN-GFCCVEGCSA-N |