methyl 2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F813-4486 |
| Compound Name: | methyl 2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C24 H21 N5 O3 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1c2c(ncn1)nc(N1CCc3ccccc3C1)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6409 |
| logD: | 4.6253 |
| logSw: | -4.401 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.51 |
| InChI Key: | LIBDSAQQAIBQHA-UHFFFAOYSA-N |