8-(2-nitrophenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(2-nitrophenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(2-nitrophenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0536 |
| Compound Name: | 8-(2-nitrophenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccccc2)C1=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8729 |
| logD: | 3.8729 |
| logSw: | -4.1924 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.855 |
| InChI Key: | BBUVMLPJSPHKJX-MRXNPFEDSA-N |