2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(3-methyl-1H-pyrazol-5-yl)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-(3-methyl-1H-pyrazol-5-yl)acetamide
2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide
Compound characteristics
| Compound ID: | C200-3315 |
| 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-(3-methyl-1H-pyrazol-5-yl)acetamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1CC(Nc1cc(C)n[nH]1)=O)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 3.3886 |
| logD: | 3.3882 |
| logSw: | -3.6222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.631 |
| InChI Key: | LIZMMMYYYCJUPU-UHFFFAOYSA-N |