4-[8-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[8-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
4-[8-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5069 |
| Compound Name: | 4-[8-(2H-1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 487.48 |
| Molecular Formula: | C25 H24 F3 N3 O4 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(c1ccc2c(c1)OCO2)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8223 |
| logD: | 2.8223 |
| logSw: | -3.2177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.587 |
| InChI Key: | VGDBCTPDXGQWCE-SFHVURJKSA-N |