N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | 3158-0001 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | Cc1ccc(cc1NC(COc1ccc(cc1)[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0679 |
| logD: | 5.0679 |
| logSw: | -4.7526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.748 |
| InChI Key: | VDHGVPBCGIVZEI-UHFFFAOYSA-N |