ethyl 4-methyl-2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 5025-0100 |
| Compound Name: | ethyl 4-methyl-2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C21 H22 N6 O3 S2 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nc3c(c4ccccc4n3C(C)C)nn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9526 |
| logD: | 3.9103 |
| logSw: | -3.9841 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.58 |
| InChI Key: | DXFNIAIVHWPBFU-UHFFFAOYSA-N |