methyl [2-(3-nitrobenzamido)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
Chemical Structure Depiction of
methyl [2-(3-nitrobenzamido)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
methyl [2-(3-nitrobenzamido)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
Compound characteristics
| Compound ID: | 6186-1814 |
| Compound Name: | methyl [2-(3-nitrobenzamido)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate |
| Molecular Weight: | 335.29 |
| Molecular Formula: | C13 H9 N3 O6 S |
| Smiles: | COC(/C=C1/C(N=C(NC(c2cccc(c2)[N+]([O-])=O)=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1442 |
| logD: | -2.0249 |
| logSw: | -2.4107 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.035 |
| InChI Key: | NWSBWWBPJWQURI-UHFFFAOYSA-N |