4-[(5R)-1-methyl-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[(5R)-1-methyl-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile
4-[(5R)-1-methyl-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | H030-0028 |
| Compound Name: | 4-[(5R)-1-methyl-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 355.34 |
| Molecular Formula: | C15 H12 F3 N3 O2 S |
| Smiles: | CN1C(N(C([C@]12CCOC2)=O)c1ccc(C#N)c(c1)C(F)(F)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6942 |
| logD: | 1.6942 |
| logSw: | -2.5893 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.14 |
| InChI Key: | XPDVJKARKPCWNW-CQSZACIVSA-N |