2-amino-4-(3-bromophenyl)-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-bromophenyl)-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-bromophenyl)-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | 3536-0257 |
Compound Name: | 2-amino-4-(3-bromophenyl)-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 451.32 |
Molecular Formula: | C23 H19 Br N2 O3 |
Smiles: | COc1ccc(cc1)C1CC2=C(C(C(C#N)=C(N)O2)c2cccc(c2)[Br])C(C1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3793 |
logD: | 4.3793 |
logSw: | -4.6211 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.874 |
InChI Key: | ZCPJSNAMIRSGSS-UHFFFAOYSA-N |