ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate
Chemical Structure Depiction of
ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate
ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 4715-0130 |
| Compound Name: | ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C18 H17 N7 O3 S2 |
| Smiles: | CCOC(Cc1nnc(NC(CSc2nc3c(c4ccccc4n3C)nn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1389 |
| logD: | 2.1231 |
| logSw: | -2.6793 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.137 |
| InChI Key: | UGUDLUQXKLGZRU-UHFFFAOYSA-N |