ethyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate
Chemical Structure Depiction of
ethyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate
ethyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate
Compound characteristics
| Compound ID: | G411-0210 |
| Compound Name: | ethyl 3-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]amino}-3-oxopropanoate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C21 H20 N2 O5 |
| Smiles: | CCOC(CC(NC1=C(c2ccccc2OC1=O)NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8602 |
| logD: | 1.0431 |
| logSw: | -2.7053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.101 |
| InChI Key: | VRAXOAYXCRKJJT-UHFFFAOYSA-N |