2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Compound characteristics
Compound ID: | 8009-8888 |
Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide |
Molecular Weight: | 462.75 |
Molecular Formula: | C18 H13 Br Cl N5 O S |
Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCC(Nc1ccc(cc1)[Cl])=O)[Br] |
Stereo: | ACHIRAL |
logP: | 4.4318 |
logD: | 4.4317 |
logSw: | -4.6217 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.938 |
InChI Key: | GNCXVQRQHVCGGR-UHFFFAOYSA-N |