N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzene-1-sulfonamide
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G856-3209 |
| Compound Name: | N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C20 H21 N3 O6 S2 |
| Smiles: | Cc1c(CCNS(c2ccc(cc2)[N+]([O-])=O)(=O)=O)sc(c2ccc(c(c2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1727 |
| logD: | 4.1723 |
| logSw: | -4.3947 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.791 |
| InChI Key: | OOGSJWMMIVQYHQ-UHFFFAOYSA-N |