N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-nitrobenzamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3252 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-nitrobenzamide |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C16 H13 N3 O5 S2 |
| Smiles: | Cc1cccc(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9115 |
| logD: | 1.8026 |
| logSw: | -3.8032 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.619 |
| InChI Key: | MXITWMCUEWXPPD-UHFFFAOYSA-N |