ethyl 4-methyl-2-(2-{[5-(prop-2-en-1-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-(prop-2-en-1-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-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4249-0031 |
| Compound Name: | ethyl 4-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C21 H20 N6 O3 S2 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nc3c(c4ccccc4n3CC=C)nn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.043 |
| logD: | 4.0007 |
| logSw: | -3.9791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.483 |
| InChI Key: | OGCLAPYVTBPMOS-UHFFFAOYSA-N |