4-[8-(3-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[8-(3-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
4-[8-(3-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5048 |
| Compound Name: | 4-[8-(3-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 495.9 |
| Molecular Formula: | C24 H22 Cl F4 N3 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(c1ccc(c(c1)[Cl])F)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4398 |
| logD: | 3.4398 |
| logSw: | -3.9358 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.472 |
| InChI Key: | FFMMKDAVEVHCCH-QGZVFWFLSA-N |