3-(4-methylphenyl)-8-(2-nitrophenyl)-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-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-methylphenyl)-8-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0533 |
| Compound Name: | 3-(4-methylphenyl)-8-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccccc2[N+]([O-])=O)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4179 |
| logD: | 4.4179 |
| logSw: | -4.3405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.855 |
| InChI Key: | WVQPEIMFJBKZEM-QGZVFWFLSA-N |