N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-nitrophenyl)acetamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 4100-3695 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-nitrophenyl)acetamide |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C16 H13 N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(Cc1ccc(cc1)[N+]([O-])=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2905 |
| logD: | 2.2898 |
| logSw: | -3.0423 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.008 |
| InChI Key: | RLMWSAZVUVCMRD-UHFFFAOYSA-N |