7-oxo-2-(piperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
7-oxo-2-(piperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
7-oxo-2-(piperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0125 |
| Compound Name: | 7-oxo-2-(piperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | COc1cc(CNC(C2=CC(N=C3N2N=C(N2CCCCC2)S3)=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0297 |
| logD: | 1.9864 |
| logSw: | -2.7808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.405 |
| InChI Key: | JMNAJHJKGVITNW-UHFFFAOYSA-N |