3-(butan-2-yl)-8-(4-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
3-(butan-2-yl)-8-(4-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
3-(butan-2-yl)-8-(4-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V027-8211 |
| Compound Name: | 3-(butan-2-yl)-8-(4-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 491.53 |
| Molecular Formula: | C26 H29 F4 N3 O2 |
| Salt: | not_available |
| Smiles: | CCC(C)C1C(N(Cc2cccc(c2)C(F)(F)F)C2(CCN(CC2)C(c2ccc(cc2)F)=O)N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4523 |
| logD: | 4.0818 |
| logSw: | -4.3324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.214 |
| InChI Key: | HITHRSXGUCEADG-UHFFFAOYSA-N |