4-[6-(butylsulfanyl)-5-cyano-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl]benzoic acid
Chemical Structure Depiction of
4-[6-(butylsulfanyl)-5-cyano-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl]benzoic acid
4-[6-(butylsulfanyl)-5-cyano-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 7218-1412 |
| Compound Name: | 4-[6-(butylsulfanyl)-5-cyano-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl]benzoic acid |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C16 H16 N2 O3 S2 |
| Smiles: | CCCCSC1=C(C#N)C(NC(c2ccc(cc2)C(O)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0854 |
| logD: | 1.1139 |
| logSw: | -3.9423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.271 |
| InChI Key: | PASCLRVZCOTTHB-AWEZNQCLSA-N |