N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-nitrobenzamide
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | D335-1069 |
| Compound Name: | N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-nitrobenzamide |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C12 H11 N3 O3 S |
| Smiles: | [H]N(Cc1csc(C)n1)C(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3548 |
| logD: | 2.3545 |
| logSw: | -2.9734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.039 |
| InChI Key: | IYAGXYXHFOJFRS-UHFFFAOYSA-N |