ethyl 2-{2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6290-0105 |
| Compound Name: | ethyl 2-{2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C22 H24 N6 O3 S2 |
| Smiles: | CCCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1nc(C)c(C(=O)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7068 |
| logD: | 4.6645 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.483 |
| InChI Key: | NRYWGWLONRWKGG-UHFFFAOYSA-N |