N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
Compound characteristics
| Compound ID: | D699-0141 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C25 H23 N9 O |
| Smiles: | Cc1cc(C)n(c2nc3c(c4ccccc4n3CC(NCCc3nc4ccccc4[nH]3)=O)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4866 |
| logD: | 2.4732 |
| logSw: | -2.9384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.649 |
| InChI Key: | BIEOLHBQAJIPRF-UHFFFAOYSA-N |