3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-methoxyphenyl)-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: | C499-0697 |
| Compound Name: | 3-(4-methoxyphenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | COc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[N+]([O-])=O)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0115 |
| logD: | 4.0115 |
| logSw: | -4.1756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.7 |
| InChI Key: | RERYLQITPLJTCB-GOSISDBHSA-N |