2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3718-0073 |
| Compound Name: | 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C30 H26 N2 O4 |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1C(C#N)=C(N)OC2CC(CC(C1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7585 |
| logD: | 4.7585 |
| logSw: | -4.941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.275 |
| InChI Key: | QQNMHTHRXCYVLC-UHFFFAOYSA-N |