2,4,8-triamino-5-(3,4-dimethoxyphenyl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2,4,8-triamino-5-(3,4-dimethoxyphenyl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4,8-triamino-5-(3,4-dimethoxyphenyl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-2650 |
| Compound Name: | 2,4,8-triamino-5-(3,4-dimethoxyphenyl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C21 H19 N5 O3 |
| Smiles: | COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c(c(C#N)c(N)n2)N)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.898 |
| logD: | 1.8744 |
| logSw: | -2.518 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 109.521 |
| InChI Key: | TYIPNWNFDYQYJX-QGZVFWFLSA-N |