ethyl (5-{2-[(5-benzyl-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-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate
ethyl (5-{2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 6623-1375 |
| Compound Name: | ethyl (5-{2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C24 H21 N7 O3 S2 |
| Smiles: | CCOC(Cc1nnc(NC(CSc2nc3c(c4ccccc4n3Cc3ccccc3)nn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0134 |
| logD: | 3.9975 |
| logSw: | -4.0409 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.055 |
| InChI Key: | XLHRQIMKNMOLPR-UHFFFAOYSA-N |