2,4-diamino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4-diamino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-2652 |
| Compound Name: | 2,4-diamino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[N+]([O-])=O)c3c(c(C#N)c(N)nc3O2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6893 |
| logD: | 2.6893 |
| logSw: | -3.0932 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 120.144 |
| InChI Key: | OVANFQWUEOAFFC-OAHLLOKOSA-N |