2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E737-0228 |
| Compound Name: | 2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | Cc1cccc(c1)N1C(c2c(c3cc(C)ccc3n2C)N(CC(Nc2cccc(c2)SC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1576 |
| logD: | 5.1576 |
| logSw: | -5.029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.885 |
| InChI Key: | FAVJRCIXULITFZ-UHFFFAOYSA-N |