N-[(1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[(1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
N-[(1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | 3820-5363 |
| Compound Name: | N-[(1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | COc1ccc(cc1OC)C(NC(Nc1nc2ccccc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8887 |
| logD: | 3.8886 |
| logSw: | -4.182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.262 |
| InChI Key: | PYMILEIGJFZNLI-UHFFFAOYSA-N |