2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | M060-0440 |
Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 431.28 |
Molecular Formula: | C18 H12 Br F N4 O S |
Smiles: | C(C(Nc1ccccc1F)=O)Sc1c2c(c3cc(ccc3[nH]2)[Br])ncn1 |
Stereo: | ACHIRAL |
logP: | 3.8939 |
logD: | 3.8928 |
logSw: | -4.2049 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.951 |
InChI Key: | CDPDAJPMDRYTFU-UHFFFAOYSA-N |