1-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Chemical Structure Depiction of
1-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
1-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Compound characteristics
| Compound ID: | 8013-5731 |
| Compound Name: | 1-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C27 H24 N4 S |
| Smiles: | CC1(C)Cc2ccccc2C(CSc2nc(c3ccccc3)c(c3ccccc3)nn2)=N1 |
| Stereo: | ACHIRAL |
| logP: | 5.5749 |
| logD: | 5.4405 |
| logSw: | -5.8541 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.161 |
| InChI Key: | DMYHCRMUEVZSRN-UHFFFAOYSA-N |