3-(3-chloro-4-methylphenyl)-8-(2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(3-chloro-4-methylphenyl)-8-(2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-chloro-4-methylphenyl)-8-(2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
Compound ID: | C499-0095 |
Compound Name: | 3-(3-chloro-4-methylphenyl)-8-(2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
Molecular Weight: | 409.94 |
Molecular Formula: | C22 H20 Cl N3 O S |
Smiles: | Cc1ccccc1C1CC(N2CN(CSC2=C1C#N)c1ccc(C)c(c1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6842 |
logD: | 5.6842 |
logSw: | -5.9112 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 37.775 |
InChI Key: | HIFPTVRQYRQNCH-GOSISDBHSA-N |