methyl {[5-cyano-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-cyano-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate
methyl {[5-cyano-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 7218-1460 |
| Compound Name: | methyl {[5-cyano-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C14 H12 N2 O4 S2 |
| Smiles: | COC(CSC1=C(C#N)C(NC(c2ccc(cc2)O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.673 |
| logD: | 1.6707 |
| logSw: | -2.1802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.059 |
| InChI Key: | ASSHQJXGSCLXRB-ZDUSSCGKSA-N |