N-butyl-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-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
N-butyl-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: | D699-0121 |
| Compound Name: | N-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide |
| Molecular Weight: | 377.45 |
| Molecular Formula: | C20 H23 N7 O |
| Smiles: | CCCCNC(Cn1c2ccccc2c2c1nc(nn2)n1c(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4879 |
| logD: | 2.4878 |
| logSw: | -2.9442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.639 |
| InChI Key: | GQIRMUGWQSKRKB-UHFFFAOYSA-N |