2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E737-0075 |
| Compound Name: | 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 480.57 |
| Molecular Formula: | C29 H28 N4 O3 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(c3cc(C)ccc3n2C)N(CC(Nc2cc(C)ccc2C)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6629 |
| logD: | 4.6629 |
| logSw: | -4.2743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.187 |
| InChI Key: | KNSZXJZQVWADIB-UHFFFAOYSA-N |