N-butyl-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-butyl-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-butyl-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D481-0157 |
| Compound Name: | N-butyl-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C18 H24 N6 O2 S |
| Smiles: | CCCCNC(CCC1=C(C)Nc2nc(NCc3cccs3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0827 |
| logD: | 2.0395 |
| logSw: | -2.8755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.223 |
| InChI Key: | SVNQWTOVHXGAKY-UHFFFAOYSA-N |