2-amino-7-hydroxy-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-hydroxy-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-4H-1-benzopyran-3-carbonitrile
2-amino-7-hydroxy-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1395 |
| Compound Name: | 2-amino-7-hydroxy-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C20 H16 N2 O4 |
| Smiles: | COc1cc(ccc1OCC#C)C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1182 |
| logD: | 2.1179 |
| logSw: | -2.5066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.046 |
| InChI Key: | SRGZIHZIICYNKD-LJQANCHMSA-N |