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
Available: 130 mg
Amount:
mg
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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
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