methyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate
Chemical Structure Depiction of
methyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate
methyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate
Compound characteristics
| Compound ID: | G411-0231 |
| Compound Name: | methyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | COC(CC(NC1=C(c2ccccc2OC1=O)NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4076 |
| logD: | 0.5905 |
| logSw: | -2.0578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.521 |
| InChI Key: | ZUTMEOOUBKMRDV-UHFFFAOYSA-N |