4-[4-(hydroxymethyl)-2-(isoquinoline-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(hydroxymethyl)-2-(isoquinoline-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(hydroxymethyl)-2-(isoquinoline-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0066 |
| Compound Name: | 4-[4-(hydroxymethyl)-2-(isoquinoline-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 494.52 |
| Molecular Formula: | C27 H25 F3 N4 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3013 |
| logD: | 3.3013 |
| logSw: | -3.3174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.019 |
| InChI Key: | GUXCEUSOLMWKOU-HXUWFJFHSA-N |