1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-ethyl-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-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-2323 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | CCn1c2ccccc2c2c1nc(nn2)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1458 |
| logD: | 4.1458 |
| logSw: | -4.0362 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.76 |
| InChI Key: | PCIIWHLPXPNTAB-UHFFFAOYSA-N |