methyl 4-(2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L387-4928 |
| Compound Name: | methyl 4-(2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C21 H23 N5 O4 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9172 |
| logD: | 3.9172 |
| logSw: | -3.9262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.305 |
| InChI Key: | AXGABLUPXLVRRY-UHFFFAOYSA-N |