N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1393 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C15 H11 N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5013 |
| logD: | 2.4935 |
| logSw: | -3.1211 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.221 |
| InChI Key: | QFTYIDYJJHJYBW-UHFFFAOYSA-N |