2-amino-4-(3-bromo-4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-bromo-4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(3-bromo-4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-8254 |
| Compound Name: | 2-amino-4-(3-bromo-4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 377.17 |
| Molecular Formula: | C16 H10 Br F N2 O3 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)[Br])F)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.28 |
| logD: | 2.28 |
| logSw: | -2.8005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.889 |
| InChI Key: | OKMCFNZWJGMRTH-CYBMUJFWSA-N |