methyl 4-{(5R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl}-2-fluorobenzoate
Chemical Structure Depiction of
methyl 4-{(5R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl}-2-fluorobenzoate
methyl 4-{(5R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl}-2-fluorobenzoate
Compound characteristics
| Compound ID: | H030-0025 |
| Compound Name: | methyl 4-{(5R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl}-2-fluorobenzoate |
| Molecular Weight: | 493.44 |
| Molecular Formula: | C22 H15 F4 N3 O4 S |
| Smiles: | COC(c1ccc(cc1F)N1C(N(C([C@]12CCOC2)=O)c1ccc(C#N)c(c1)C(F)(F)F)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3385 |
| logD: | 3.3385 |
| logSw: | -3.595 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.665 |
| InChI Key: | BYKKMBQESVGMNS-OAQYLSRUSA-N |