N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | L862-0214 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CCCN1C(c2c(nc(N3CCCC3)s2)N(CC(NCc2ccc3c(c2)OCO3)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5286 |
| logD: | 3.5286 |
| logSw: | -3.7401 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.026 |
| InChI Key: | OSAGFBSHMMRBQK-UHFFFAOYSA-N |