2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-methylphenyl)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-methylphenyl)acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F813-4566 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C23 H21 N5 O S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1c2c(ncn1)nc(N1CCc3ccccc3C1)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2762 |
| logD: | 5.2762 |
| logSw: | -5.1394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.034 |
| InChI Key: | XAIIPGYQJVKMJN-UHFFFAOYSA-N |