N-[(5-bromo-2-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C885-0571 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C20 H22 Br N5 O3 S |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC(C1)C(NCc1cc(ccc1OC)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5462 |
| logD: | 2.5412 |
| logSw: | -2.8888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.948 |
| InChI Key: | IBXWBDVKFYTEMC-ZDUSSCGKSA-N |