3-(4-fluorophenyl)-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-fluorophenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-fluorophenyl)-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: | C499-0677 |
| Compound Name: | 3-(4-fluorophenyl)-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C20 H15 F N4 O3 S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccc(cc2)F)C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0582 |
| logD: | 4.0582 |
| logSw: | -4.2581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.156 |
| InChI Key: | ITSQRZUUXZOEDY-QGZVFWFLSA-N |