N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7826 |
| Compound Name: | N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)c1c(C)sc(NC(c2cccc(Cn3cc(cn3)[N+]([O-])=O)c2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2017 |
| logD: | 5.1768 |
| logSw: | -4.9474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.762 |
| InChI Key: | IECINEVTRMCBDS-UHFFFAOYSA-N |