3-(butan-2-yl)-N-(4-methoxyphenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of
3-(butan-2-yl)-N-(4-methoxyphenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
3-(butan-2-yl)-N-(4-methoxyphenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | V026-2240 |
| Compound Name: | 3-(butan-2-yl)-N-(4-methoxyphenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 534.64 |
| Molecular Formula: | C27 H33 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C1C(N(Cc2cccc(c2)C(F)(F)F)C2(CCN(CC2)C(Nc2ccc(cc2)OC)=S)N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5297 |
| logD: | 5.3043 |
| logSw: | -5.4473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.008 |
| InChI Key: | NLYLPSKXNSLHFX-UHFFFAOYSA-N |