diethyl [{4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}(phenyl)methyl]phosphonate
Chemical Structure Depiction of
diethyl [{4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}(phenyl)methyl]phosphonate
diethyl [{4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}(phenyl)methyl]phosphonate
Compound characteristics
| Compound ID: | C905-0001 |
| Compound Name: | diethyl [{4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}(phenyl)methyl]phosphonate |
| Molecular Weight: | 513.64 |
| Molecular Formula: | C27 H36 N3 O3 P S |
| Smiles: | CCOP(C(c1ccccc1)N1C(NC(\C12CCCCC2)=N/c1c(C)cccc1C)=S)(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0141 |
| logD: | 6.0138 |
| logSw: | -5.5176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.874 |
| InChI Key: | XYWMCELFJQKKIA-DEOSSOPVSA-N |