N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C885-0385 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC(C1)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3436 |
| logD: | 1.3385 |
| logSw: | -2.4311 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.42 |
| InChI Key: | LXKWJHWNWWABSB-INIZCTEOSA-N |