N-(3,5-dimethylphenyl)-2-{[3-(4-nitrophenyl)-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-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3,5-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1308 |
Compound Name: | N-(3,5-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 499.55 |
Molecular Formula: | C26 H21 N5 O4 S |
Smiles: | Cc1cc(C)cc(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6666 |
logD: | 4.6666 |
logSw: | -4.5224 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.649 |
InChI Key: | UQQBHGWHOWMFHS-UHFFFAOYSA-N |