3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]propanamide
3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | Y042-9994 |
| Compound Name: | 3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]propanamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C21 H20 N4 O6 S2 |
| Smiles: | COc1cc2C(N(CCC(Nc3nc4ccc(cc4s3)S(C)(=O)=O)=O)C=Nc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4477 |
| logD: | 1.4472 |
| logSw: | -2.5497 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.238 |
| InChI Key: | PNQHVQAYFYRPIH-UHFFFAOYSA-N |