methyl 4-{2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
methyl 4-{2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L862-0158 |
| Compound Name: | methyl 4-{2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CCCN1C(c2c(nc(N3CCCC3)s2)N(CC(Nc2ccc(cc2)C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1285 |
| logD: | 4.1285 |
| logSw: | -3.9908 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.762 |
| InChI Key: | YTCHOJHGBZNMIW-UHFFFAOYSA-N |