2-[8-methoxy-5-methyl-3-(4-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-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[8-methoxy-5-methyl-3-(4-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: | C200-3088 |
| Compound Name: | 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(c2c(c3cc(ccc3n2C)OC)N(CC(Nc2cccc(c2)SC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6529 |
| logD: | 4.6529 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.429 |
| InChI Key: | PXUGBFDOQXKJGY-UHFFFAOYSA-N |