2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-0690 |
| Compound Name: | 2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 371.3 |
| Molecular Formula: | C17 H13 N3 O7 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cc(c(c(c2)OC)O)[N+]([O-])=O)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2372 |
| logD: | 0.9413 |
| logSw: | -1.7444 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.079 |
| InChI Key: | GRAYXEGAQNAMEI-CYBMUJFWSA-N |