2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F813-4505 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C23 H21 N5 O S3 |
| Smiles: | CSc1cccc(c1)NC(CSc1c2c(ncn1)nc(N1CCc3ccccc3C1)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3772 |
| logD: | 5.3772 |
| logSw: | -5.3855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.034 |
| InChI Key: | SOAWQYUPBSXAKC-UHFFFAOYSA-N |