2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 7706-1240 |
| Compound Name: | 2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| Molecular Weight: | 493.32 |
| Molecular Formula: | C23 H17 Br N4 O4 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cc3c(cc2[Br])OCO3)C(N1Cc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6331 |
| logD: | 2.6331 |
| logSw: | -3.11 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.009 |
| InChI Key: | YJPZKETYVIKJON-HXUWFJFHSA-N |