N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzamide
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | G856-2900 |
| Compound Name: | N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-nitrobenzamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | Cc1c(CCNC(c2ccc(cc2)[N+]([O-])=O)=O)sc(c2ccc(c(c2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7329 |
| logD: | 3.7328 |
| logSw: | -4.16 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.446 |
| InChI Key: | CPDKMRRIRPRNFZ-UHFFFAOYSA-N |