N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0304 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | CC1CCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(NCc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7786 |
| logD: | 2.597 |
| logSw: | -3.4187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.601 |
| InChI Key: | XZONIJBYPPWWBP-UHFFFAOYSA-N |