2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
Compound ID: | G856-0956 |
Compound Name: | 2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
Molecular Weight: | 499.55 |
Molecular Formula: | C26 H21 N5 O4 S |
Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0089 |
logD: | 5.0081 |
logSw: | -4.9696 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.649 |
InChI Key: | XYFUIKCUSSORLQ-UHFFFAOYSA-N |