3-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
3-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8014-1385 |
| Compound Name: | 3-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 373.48 |
| Molecular Formula: | C21 H19 N5 S |
| Smiles: | CC1(C)Cc2ccccc2C(CSc2nc3c(c4ccccc4[nH]3)nn2)=N1 |
| Stereo: | ACHIRAL |
| logP: | 3.8514 |
| logD: | 3.717 |
| logSw: | -4.1593 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.31 |
| InChI Key: | IPZLWMCLGBNNOP-UHFFFAOYSA-N |