2-(3-nitrophenyl)-2-oxoethyl 4-oxo-4-[(quinolin-8-yl)amino]butanoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 4-oxo-4-[(quinolin-8-yl)amino]butanoate
2-(3-nitrophenyl)-2-oxoethyl 4-oxo-4-[(quinolin-8-yl)amino]butanoate
Compound characteristics
| Compound ID: | 7534-2802 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 4-oxo-4-[(quinolin-8-yl)amino]butanoate |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C21 H17 N3 O6 |
| Smiles: | C(CC(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)C(Nc1cccc2cccnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8195 |
| logD: | 2.8194 |
| logSw: | -3.3375 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.114 |
| InChI Key: | PBNBSRDPLOEUJS-UHFFFAOYSA-N |