4-[4-(methoxymethyl)-8-(5-methylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(methoxymethyl)-8-(5-methylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(methoxymethyl)-8-(5-methylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5251 |
| Compound Name: | 4-[4-(methoxymethyl)-8-(5-methylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 477.55 |
| Molecular Formula: | C24 H26 F3 N3 O2 S |
| Smiles: | Cc1ccc(C(N2CCC3(CC2)CN(CC3COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2992 |
| logD: | 4.2992 |
| logSw: | -4.3165 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.799 |
| InChI Key: | XKGWMGQAVOBLIF-GOSISDBHSA-N |