2-(3-benzyl-5,8-dimethyl-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-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide
2-(3-benzyl-5,8-dimethyl-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: | E737-0580 |
| Compound Name: | 2-(3-benzyl-5,8-dimethyl-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: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1CC(NCC1CCCO1)=O)=O)=O)n2C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9531 |
| logD: | 2.9531 |
| logSw: | -3.2035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.473 |
| InChI Key: | FTULTOMHKYVMED-LJQANCHMSA-N |