2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F813-4498 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C24 H23 N5 O3 S2 |
| Smiles: | COc1ccc(c(c1)NC(CSc1c2c(ncn1)nc(N1CCc3ccccc3C1)s2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5997 |
| logD: | 4.5992 |
| logSw: | -4.3962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.51 |
| InChI Key: | SSHHWFQKTDQZCB-UHFFFAOYSA-N |