2,4-diamino-8,8-dimethyl-6-oxo-5-phenyl-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-8,8-dimethyl-6-oxo-5-phenyl-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4-diamino-8,8-dimethyl-6-oxo-5-phenyl-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-0595 |
| Compound Name: | 2,4-diamino-8,8-dimethyl-6-oxo-5-phenyl-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)c3c(c(C#N)c(N)nc3O2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.829 |
| logD: | 2.829 |
| logSw: | -3.391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 86.763 |
| InChI Key: | LFZGRKNGZGTWBP-OAHLLOKOSA-N |