2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
Compound ID: | G856-1159 |
Compound Name: | 2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
Molecular Weight: | 489.48 |
Molecular Formula: | C24 H16 F N5 O4 S |
Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 4.0027 |
logD: | 4.0019 |
logSw: | -4.4053 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.649 |
InChI Key: | UVKQYYJJHBTKNH-UHFFFAOYSA-N |