N-[(2-bromophenyl)methyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-[(2-bromophenyl)methyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4715 |
| Compound Name: | N-[(2-bromophenyl)methyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 490.42 |
| Molecular Formula: | C21 H24 Br N5 O2 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6114 |
| logD: | 3.6081 |
| logSw: | -3.5136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.991 |
| InChI Key: | CJQQLMFLMIVFNZ-UHFFFAOYSA-N |