N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitrobenzamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4100-3235 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C16 H13 N3 O6 S2 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0743 |
| logD: | 2.0396 |
| logSw: | -3.032 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.551 |
| InChI Key: | CHEMGCOJECDEFI-UHFFFAOYSA-N |