N-(3,5-dimethylphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3,5-dimethylphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1148 |
Compound Name: | N-(3,5-dimethylphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 472.54 |
Molecular Formula: | C26 H21 F N4 O2 S |
Smiles: | Cc1cc(C)cc(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.77 |
logD: | 4.77 |
logSw: | -4.7926 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.267 |
InChI Key: | PDBWFFQAFFNJJL-UHFFFAOYSA-N |