4-{4-(hydroxymethyl)-8-[(pyridin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-8-[(pyridin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-8-[(pyridin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5088 |
| Compound Name: | 4-{4-(hydroxymethyl)-8-[(pyridin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H25 F3 N4 O |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)Cc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4592 |
| logD: | 1.9758 |
| logSw: | -2.1591 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.074 |
| InChI Key: | IBTOKIOLNXIPAE-IBGZPJMESA-N |