2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | M060-0383 |
Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 412.44 |
Molecular Formula: | C20 H17 F N4 O3 S |
Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccccc3F)=O)[nH]c2cc1OC |
Stereo: | ACHIRAL |
logP: | 2.7676 |
logD: | 2.7664 |
logSw: | -3.2825 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.212 |
InChI Key: | JPXKMJCIHPZMJM-UHFFFAOYSA-N |