2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-propylacetamide
2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | K936-0106 |
| Compound Name: | 2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-propylacetamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C25 H29 N5 O5 S |
| Smiles: | CCCNC(CN1C=Nc2c(C1=O)c(C)c(C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4189 |
| logD: | 1.2342 |
| logSw: | -2.6135 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.13 |
| InChI Key: | YNWXDPRKPSHXQV-UHFFFAOYSA-N |