2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | E737-0184 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C26 H28 N4 O4 |
| Smiles: | Cc1cccc(c1)N1C(c2c(c3cc(C)ccc3n2C)N(CC(NCC2CCCO2)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7299 |
| logD: | 2.7299 |
| logSw: | -2.9781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.862 |
| InChI Key: | HMBOFEMEBPNEAL-LJQANCHMSA-N |