2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)-N-(3,5-dimethylphenyl)acetamide
2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | M037-0118 |
| Compound Name: | 2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C(N2C(=N1)N(C)C(c1c2c(cn1C)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3493 |
| logD: | 3.3493 |
| logSw: | -3.642 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.705 |
| InChI Key: | MHJYOGPLQLJLKJ-UHFFFAOYSA-N |