2-amino-4-(2-bromophenyl)-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-(2-bromophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 7706-1088 |
Compound Name: | 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-6-[(oxolan-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
Molecular Weight: | 442.31 |
Molecular Formula: | C21 H20 Br N3 O3 |
Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccccc2[Br])C(N1CC1CCCO1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.5745 |
logD: | 2.5745 |
logSw: | -2.826 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.005 |
InChI Key: | BBWGRPHRGLMPOO-UHFFFAOYSA-N |