6-(butylsulfanyl)-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Chemical Structure Depiction of
6-(butylsulfanyl)-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
6-(butylsulfanyl)-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Compound characteristics
| Compound ID: | 7218-1417 |
| Compound Name: | 6-(butylsulfanyl)-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile |
| Molecular Weight: | 364.48 |
| Molecular Formula: | C17 H20 N2 O3 S2 |
| Smiles: | CCCCSC1=C(C#N)C(NC(c2ccc(c(c2)OC)OC)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8172 |
| logD: | 3.8163 |
| logSw: | -3.8862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.124 |
| InChI Key: | CHQGWKDYOCQQNG-INIZCTEOSA-N |