N-(2,4-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-0945 |
Compound Name: | N-(2,4-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 482.6 |
Molecular Formula: | C28 H26 N4 O2 S |
Smiles: | Cc1ccc(c(C)c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.5658 |
logD: | 5.5658 |
logSw: | -5.5857 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.569 |
InChI Key: | KLTOOFZCQGMMJI-UHFFFAOYSA-N |