7-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0076 |
| Compound Name: | 7-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C24 H22 N6 O2 S2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCc3ccccc3C1)n2CCSc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.943 |
| logD: | 4.9429 |
| logSw: | -4.4768 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.333 |
| InChI Key: | ZVGNZVHJGYNIFC-UHFFFAOYSA-N |