4-{4-(hydroxymethyl)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0105 |
| Compound Name: | 4-{4-(hydroxymethyl)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C23 H27 F3 N4 O |
| Smiles: | [H]OCC1CN(Cc2cccn2C)CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.948 |
| logD: | 0.2417 |
| logSw: | -3.0316 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.454 |
| InChI Key: | VSARRZSKRIRVMF-GOSISDBHSA-N |