methyl 2-(2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L387-5170 |
| Compound Name: | methyl 2-(2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | CC(C)N1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9405 |
| logD: | 3.9322 |
| logSw: | -4.0022 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.603 |
| InChI Key: | AQXJBAUSNCTDIC-UHFFFAOYSA-N |