N-[(2-bromophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide--oxalic acid (1/1)
N-[(2-bromophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | C885-1287 |
| Compound Name: | N-[(2-bromophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide--oxalic acid (1/1) |
| Molecular Weight: | 538.37 |
| Molecular Formula: | C18 H18 Br N5 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC1C(NCc1ccccc1[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.34 |
| logD: | 2.3161 |
| logSw: | -2.6487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.444 |
| InChI Key: | UXJXEYIPTPVTEC-AWEZNQCLSA-N |