N-[(4-ethoxy-3-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-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | F149-0789 |
Compound Name: | N-[(4-ethoxy-3-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: | CCOc1ccc(CNC(C2=CC(N=C3N2N=C(N2CCCC(C)C2)S3)=O)=O)cc1OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.4476 |
logD: | 2.3994 |
logSw: | -2.8685 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.201 |
InChI Key: | YNVVUFZOGRPFKZ-AWEZNQCLSA-N |