N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7825 |
| Compound Name: | N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | COc1ccc(c(c1)c1csc(NC(c2cccc(Cn3cc(cn3)[N+]([O-])=O)c2)=O)n1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8826 |
| logD: | 3.8816 |
| logSw: | -4.0484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.166 |
| InChI Key: | YDSNZLJDSJHKNZ-UHFFFAOYSA-N |