4-{4-[(2-methoxyethoxy)methyl]-8-(1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(2-methoxyethoxy)methyl]-8-(1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(2-methoxyethoxy)methyl]-8-(1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5471 |
| Compound Name: | 4-{4-[(2-methoxyethoxy)methyl]-8-(1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C24 H28 F3 N5 O3 |
| Smiles: | COCCOCC1CN(CC12CCN(CC2)C(c1cc[nH]n1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.842 |
| logD: | 1.842 |
| logSw: | -2.6359 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.654 |
| InChI Key: | VDDOATZZDXTXKW-SFHVURJKSA-N |