2,4-diamino-5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4-diamino-5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-8285 |
| Compound Name: | 2,4-diamino-5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C21 H19 Cl N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])c3c(c(C#N)c(N)nc3O2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4194 |
| logD: | 3.4194 |
| logSw: | -4.7376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 86.763 |
| InChI Key: | PQLZLOGXCCJDIX-OAHLLOKOSA-N |