2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(thiophen-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-[(thiophen-2-yl)methyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F813-4591 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C21 H19 N5 O S3 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(NCc2cccs2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5726 |
| logD: | 4.5726 |
| logSw: | -4.3662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.374 |
| InChI Key: | RIWJDUNYHQHDSO-UHFFFAOYSA-N |