2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
Compound ID: | G856-0907 |
Compound Name: | 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
Molecular Weight: | 482.6 |
Molecular Formula: | C28 H26 N4 O2 S |
Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1c(C)cc(C)cc1C)=O |
Stereo: | ACHIRAL |
logP: | 4.9846 |
logD: | 4.9846 |
logSw: | -4.8622 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.871 |
InChI Key: | AFCIVJDXIAIUMD-UHFFFAOYSA-N |