5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3,6-dimethylfuro[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3,6-dimethylfuro[2,3-d]pyrimidin-4(3H)-one
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3,6-dimethylfuro[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E947-0077 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3,6-dimethylfuro[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Smiles: | Cc1c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2C(N(C)C=Nc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5199 |
| logD: | 0.3284 |
| logSw: | -1.7986 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.012 |
| InChI Key: | YQHUKXDPCXUJPA-UHFFFAOYSA-N |