3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one
3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V026-2254 |
| Compound Name: | 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 558.62 |
| Molecular Formula: | C28 H29 F3 N4 O3 S |
| Smiles: | C(CN1C(C(Cc2ccccc2)NC12CCN(CC2)S(c1cccc(c1)C(F)(F)F)(=O)=O)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2738 |
| logD: | 4.2269 |
| logSw: | -4.3425 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.632 |
| InChI Key: | TVKDWJZMKZBPRM-VWLOTQADSA-N |