2-amino-4-(3-bromo-4-methoxyphenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-bromo-4-methoxyphenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-(3-bromo-4-methoxyphenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 7706-1096 |
| Compound Name: | 2-amino-4-(3-bromo-4-methoxyphenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| Molecular Weight: | 472.34 |
| Molecular Formula: | C22 H22 Br N3 O4 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)[Br])OC)C(N1CC1CCCO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2227 |
| logD: | 2.2227 |
| logSw: | -2.805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.635 |
| InChI Key: | ZELGRMMRYOIXBG-UHFFFAOYSA-N |