N-[2-(azepan-1-yl)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-(azepan-1-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C885-0506 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C20 H30 N6 O2 S |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC(C1)C(NCCN1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5681 |
| logD: | -0.2145 |
| logSw: | -2.1444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.473 |
| InChI Key: | VOGBCOZHVLCTLO-INIZCTEOSA-N |