3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 2279-5246 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C20 H17 N3 O7 S2 |
| Smiles: | COc1ccc(/C=C/C(Nc2ncc(s2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0133 |
| logD: | 4.0085 |
| logSw: | -4.1785 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.827 |
| InChI Key: | LYVYTFRSGPQQHT-UHFFFAOYSA-N |