2-amino-4-{3-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1244 |
| Compound Name: | 2-amino-4-{3-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C20 H17 Br N2 O4 |
| Smiles: | COc1cc(cc(c1OCC=C)[Br])C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4645 |
| logD: | 3.4642 |
| logSw: | -3.7678 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.132 |
| InChI Key: | PARWIKPWCCVERE-SFHVURJKSA-N |