1-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Chemical Structure Depiction of
1-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
1-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Compound characteristics
| Compound ID: | 8013-4051 |
| Compound Name: | 1-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline |
| Molecular Weight: | 311.45 |
| Molecular Formula: | C18 H21 N3 S |
| Smiles: | Cc1cc(C)nc(n1)SCC1c2ccccc2CC(C)(C)N=1 |
| Stereo: | ACHIRAL |
| logP: | 3.7426 |
| logD: | 3.6332 |
| logSw: | -4.0096 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.6488 |
| InChI Key: | PHJLNUSCNOHGCT-UHFFFAOYSA-N |