N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 5613-0217 |
| Compound Name: | N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6408 |
| logD: | -1.0549 |
| logSw: | -2.1473 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.455 |
| InChI Key: | MXCAVISBFUCAEL-UHFFFAOYSA-N |