N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D335-2868 |
| Compound Name: | N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C13 H13 N3 O3 S |
| Smiles: | [H]N(CCc1csc(C)n1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1863 |
| logD: | 2.1863 |
| logSw: | -2.6403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.182 |
| InChI Key: | AQRQFBUQFPDAIG-UHFFFAOYSA-N |