3-(butan-2-yl)-8-(4-methylbenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
3-(butan-2-yl)-8-(4-methylbenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
3-(butan-2-yl)-8-(4-methylbenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V026-5630 |
| Compound Name: | 3-(butan-2-yl)-8-(4-methylbenzene-1-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 523.62 |
| Molecular Formula: | C26 H32 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)C1C(N(Cc2cccc(c2)C(F)(F)F)C2(CCN(CC2)S(c2ccc(C)cc2)(=O)=O)N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3837 |
| logD: | 5.3469 |
| logSw: | -5.3579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.277 |
| InChI Key: | XJACJQUHNWXQGO-UHFFFAOYSA-N |