N-[2-(4-ethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[2-(4-ethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | F149-0313 |
Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
Molecular Weight: | 441.55 |
Molecular Formula: | C22 H27 N5 O3 S |
Smiles: | CCOc1ccc(CCNC(C2=CC(N=C3N2N=C(N2CCC(C)CC2)S3)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.881 |
logD: | 2.1301 |
logSw: | -3.4492 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.392 |
InChI Key: | OUQIGDMCYRFBLJ-UHFFFAOYSA-N |