N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]alanine
Chemical Structure Depiction of
N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]alanine
N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]alanine
Compound characteristics
| Compound ID: | 5613-0218 |
| Compound Name: | N-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enoyl]alanine |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | CC(C(O)=O)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7286 |
| logD: | -1.669 |
| logSw: | -2.1529 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.801 |
| InChI Key: | LRWYLSUWGFTBQS-ZDUSSCGKSA-N |