2-amino-4-{3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1266 |
| Compound Name: | 2-amino-4-{3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 493.36 |
| Molecular Formula: | C25 H21 Br N2 O4 |
| Smiles: | Cc1ccc(COc2c(cc(cc2[Br])C2C(C#N)=C(N)Oc3cc(ccc23)O)OC)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8257 |
| logD: | 4.8254 |
| logSw: | -4.7504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.942 |
| InChI Key: | HXAXQRULFAOIOC-QHCPKHFHSA-N |