2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0233 |
| Compound Name: | 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 481.34 |
| Molecular Formula: | C24 H21 Br N2 O4 |
| Smiles: | COc1ccc(cc1COc1cccc(c1)[Br])C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9037 |
| logD: | 3.9037 |
| logSw: | -4.3462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.46 |
| InChI Key: | YOZXSTAUIQPRRN-JOCHJYFZSA-N |