3-(3,4-dimethylphenyl)-8-(4-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-(3,4-dimethylphenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3,4-dimethylphenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0676 |
| Compound Name: | 3-(3,4-dimethylphenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[N+]([O-])=O)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9842 |
| logD: | 4.9842 |
| logSw: | -4.74 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.156 |
| InChI Key: | VABJDJKFGUHJSW-LJQANCHMSA-N |