2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8009-9748 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 515.41 |
| Molecular Formula: | C20 H15 Br N6 O2 S2 |
| Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCC(Nc1nc2ccc(cc2s1)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6634 |
| logD: | 4.6634 |
| logSw: | -4.4375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.243 |
| InChI Key: | KVTMEQMTXDGOHB-UHFFFAOYSA-N |