3-(4-methylphenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-methylphenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-methylphenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0452 |
| Compound Name: | 3-(4-methylphenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 407.56 |
| Molecular Formula: | C22 H21 N3 O S2 |
| Smiles: | Cc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)SC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2462 |
| logD: | 5.2462 |
| logSw: | -5.0271 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.775 |
| InChI Key: | XCLKDGCOEORFFU-LJQANCHMSA-N |