N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]alanine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]alanine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]alanine
Compound characteristics
| Compound ID: | 4391-1974 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]alanine |
| Molecular Weight: | 427.37 |
| Molecular Formula: | C20 H17 N3 O8 |
| Smiles: | CC(C(O)=O)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3395 |
| logD: | -2.0582 |
| logSw: | -2.2503 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.916 |
| InChI Key: | FOVDGTFIMUAIAD-NSHDSACASA-N |