N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4734 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C26 H36 N6 O2 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCCCN(CC)c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1282 |
| logD: | 4.0959 |
| logSw: | -4.0444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.823 |
| InChI Key: | FQRIJLOXKBPEOM-UHFFFAOYSA-N |