N-[(4-chlorophenyl)methyl]-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F813-4532 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.02 |
| Molecular Formula: | C23 H20 Cl N5 O S2 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(NCc2ccc(cc2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1923 |
| logD: | 5.1923 |
| logSw: | -5.69 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.356 |
| InChI Key: | XLIPUMLBMYDDEY-UHFFFAOYSA-N |