4-{4-(hydroxymethyl)-2-[(thiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-2-[(thiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-2-[(thiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0202 |
| Compound Name: | 4-{4-(hydroxymethyl)-2-[(thiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 435.51 |
| Molecular Formula: | C22 H24 F3 N3 O S |
| Smiles: | [H]OCC1CN(Cc2cccs2)CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3807 |
| logD: | 0.2678 |
| logSw: | -3.5657 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.575 |
| InChI Key: | HETFJNXIKCWDII-KRWDZBQOSA-N |