N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F813-4482 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C23 H19 N5 O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7494 |
| logD: | 4.7493 |
| logSw: | -4.7072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.149 |
| InChI Key: | FXEQARHFSMUQIK-UHFFFAOYSA-N |