2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | F813-4513 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 461.61 |
| Molecular Formula: | C24 H23 N5 O S2 |
| Smiles: | Cc1cccc(C)c1NC(CSc1c2c(ncn1)nc(N1CCc3ccccc3C1)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.101 |
| logD: | 5.101 |
| logSw: | -4.775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.638 |
| InChI Key: | XMQPHAAFFWBWJM-UHFFFAOYSA-N |