N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | D699-0104 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C24 H21 N7 O3 |
| Smiles: | Cc1cc(C)n(c2nc3c(c4ccccc4n3CC(Nc3ccc4c(c3)OCCO4)=O)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.229 |
| logD: | 2.2289 |
| logSw: | -2.9807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.027 |
| InChI Key: | TULHDEJIFUXHHM-UHFFFAOYSA-N |