N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0485-0077 |
| Compound Name: | N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C18 H14 N4 O5 S |
| Smiles: | Cc1ccc(cc1C)c1csc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4651 |
| logD: | 5.3608 |
| logSw: | -5.419 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.868 |
| InChI Key: | QHYQRRRIYVPMJR-UHFFFAOYSA-N |