N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 0591-5647 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C15 H11 N3 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2383 |
| logD: | 4.2106 |
| logSw: | -4.4047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.172 |
| InChI Key: | STKKMNFIZQOHLQ-UHFFFAOYSA-N |