1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8009-7600 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2672 |
| logD: | 4.2672 |
| logSw: | -4.1883 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.111 |
| InChI Key: | LIHZIHSXTYXUNY-UHFFFAOYSA-N |