2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0113 |
| Compound Name: | 2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C21 H15 N3 O7 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.752 |
| logD: | 2.5727 |
| logSw: | -3.3444 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.47 |
| InChI Key: | YOWXOVVWBWZCKP-MRXNPFEDSA-N |