N-(6-bromo-1,3-benzothiazol-2-yl)-3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(6-bromo-1,3-benzothiazol-2-yl)-3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K850-0299 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 584.47 |
| Molecular Formula: | C24 H18 Br N5 O4 S2 |
| Smiles: | Cc1c2C(N(CC(Nc3ccccc3OC)=O)C=Nc2sc1C(Nc1nc2ccc(cc2s1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5517 |
| logD: | 4.531 |
| logSw: | -4.5148 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.176 |
| InChI Key: | DVYSDJPBGHDFKY-UHFFFAOYSA-N |