2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-0538 |
| Compound Name: | 2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 325.28 |
| Molecular Formula: | C16 H11 N3 O5 |
| Smiles: | [H]C1(C(C#N)=C(N)OC2C=C(C)OC(C1=2)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5454 |
| logD: | 1.5454 |
| logSw: | -1.9383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.969 |
| InChI Key: | CPSDTXIIGFORNL-CYBMUJFWSA-N |