2-(3-nitrophenyl)-2-oxoethyl 4-(4-acetamidoanilino)-4-oxobutanoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 4-(4-acetamidoanilino)-4-oxobutanoate
2-(3-nitrophenyl)-2-oxoethyl 4-(4-acetamidoanilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | 4483-1393 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 4-(4-acetamidoanilino)-4-oxobutanoate |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | CC(Nc1ccc(cc1)NC(CCC(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8728 |
| logD: | 1.8728 |
| logSw: | -2.5623 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.541 |
| InChI Key: | OTVQVNOZHAMDTQ-UHFFFAOYSA-N |