2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | 3132-0991 |
Compound Name: | 2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 368.43 |
Molecular Formula: | C21 H24 N2 O4 |
Smiles: | CCCCOc1ccc(cc1OC)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9114 |
logD: | 2.9114 |
logSw: | -3.3215 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.737 |
InChI Key: | CZYUEOGOVRDEBS-LJQANCHMSA-N |