N-(2H-1,3-benzodioxol-5-yl)-4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F525-0381 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C21 H18 N6 O5 S |
| Smiles: | C1CN(CCN1C1=CC(N2C(=N1)SC(c1ccco1)=N2)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0045 |
| logD: | 2.0038 |
| logSw: | -2.852 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.339 |
| InChI Key: | ASBGBONDUQSFAJ-UHFFFAOYSA-N |