N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]methionine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]methionine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]methionine
Compound characteristics
| Compound ID: | 4391-1975 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-nitrobenzamido)prop-2-enoyl]methionine |
| Molecular Weight: | 487.49 |
| Molecular Formula: | C22 H21 N3 O8 S |
| Smiles: | CSCCC(C(O)=O)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8568 |
| logD: | -1.51 |
| logSw: | -2.5986 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.383 |
| InChI Key: | DLIQXUZVQZDIAU-INIZCTEOSA-N |