2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8008-5637 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C19 H19 N7 O S2 |
| Smiles: | CCCc1nnc(NC(CSc2nc3c(c4ccccc4n3CC=C)nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0549 |
| logD: | 4.0072 |
| logSw: | -3.9847 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.146 |
| InChI Key: | BWMYOQDBCBHHGD-UHFFFAOYSA-N |