1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(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-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-4321 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C20 H17 N5 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc2c(c3ccccc3[nH]2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1334 |
| logD: | 3.1334 |
| logSw: | -3.3901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.591 |
| InChI Key: | UGQPDZHMQNBORB-UHFFFAOYSA-N |