N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | 4100-3074 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C17 H16 N2 O5 S2 |
| Smiles: | COc1ccc(cc1OC)C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1999 |
| logD: | 2.1992 |
| logSw: | -3.0808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.101 |
| InChI Key: | LCRJZLVGBQHPMD-UHFFFAOYSA-N |