N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzamide
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | D335-1129 |
| Compound Name: | N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C12 H11 N3 O3 S |
| Smiles: | [H]N(Cc1csc(C)n1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3142 |
| logD: | 2.3141 |
| logSw: | -2.7867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.34 |
| InChI Key: | ORYSPIMTDOZIBF-UHFFFAOYSA-N |