N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4687 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0231 |
| logD: | 2.0196 |
| logSw: | -2.8594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.492 |
| InChI Key: | VKMYVPWNHRVGEY-UHFFFAOYSA-N |