N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-2296 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C20 H21 N5 O4 S |
| Smiles: | CC1CCCN(C1)C1=NN2C(=NC=C(C(NCc3ccc4c(c3)OCO4)=O)C2=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2129 |
| logD: | 2.2083 |
| logSw: | -2.8791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.289 |
| InChI Key: | DSGJBNRVEYRYDV-LBPRGKRZSA-N |