3-(3-chloro-4-methylphenyl)-8-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0176 |
| Compound Name: | 3-(3-chloro-4-methylphenyl)-8-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | CCOc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccc(C)c(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5499 |
| logD: | 5.5499 |
| logSw: | -6.0699 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.898 |
| InChI Key: | YPQFSBUSAIFVHS-LJQANCHMSA-N |