N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 2683-0110 |
| Compound Name: | N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C19 H19 N7 O S2 |
| Smiles: | CC(C)c1nnc(NC(CSc2nc3c(c4ccccc4n3CC=C)nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9025 |
| logD: | 3.8569 |
| logSw: | -3.9558 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.651 |
| InChI Key: | ZJMWCWLINSAGMS-UHFFFAOYSA-N |