2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1305 |
| Compound Name: | 2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 399.24 |
| Molecular Formula: | C19 H15 Br N2 O3 |
| Smiles: | C=CCOc1ccc(cc1C1C(C#N)=C(N)Oc2cc(ccc12)O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0935 |
| logD: | 4.0932 |
| logSw: | -4.4183 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.415 |
| InChI Key: | XSQQRTAAQURVPE-SFHVURJKSA-N |