N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0306 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C20 H22 Br N5 O3 S |
| Smiles: | CC1CCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(NCc1cc(ccc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4718 |
| logD: | 3.1204 |
| logSw: | -3.6997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.057 |
| InChI Key: | KWFFDVXWFIPIDC-UHFFFAOYSA-N |