2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F813-4562 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C21 H23 N5 O2 S2 |
| Smiles: | C1CC(CNC(CSc2c3c(ncn2)nc(N2CCc4ccccc4C2)s3)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0531 |
| logD: | 3.0531 |
| logSw: | -3.1998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.01 |
| InChI Key: | LHQIHPBFVDGEKD-MRXNPFEDSA-N |