ethyl [5-(2-{[5-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate
ethyl [5-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate
Compound characteristics
| Compound ID: | 4249-0044 |
| Compound Name: | ethyl [5-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-1,3,4-thiadiazol-2-yl]acetate |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C20 H19 N7 O3 S2 |
| Smiles: | CCOC(Cc1nnc(NC(CSc2nc3c(c4ccccc4n3CC=C)nn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0611 |
| logD: | 3.0452 |
| logSw: | -3.2112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.305 |
| InChI Key: | ZEVPRFITKNNTFC-UHFFFAOYSA-N |