N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0780 |
| Compound Name: | N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | CCOc1cc(CNC(C2=CC(N=C3N2N=C(N2CCCC(C)C2)S3)=O)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2476 |
| logD: | 2.1994 |
| logSw: | -2.8579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.201 |
| InChI Key: | AXESJVGORSUVGC-AWEZNQCLSA-N |