5-[(3,4-dimethylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3,4-dimethylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dimethylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0590 |
| Compound Name: | 5-[(3,4-dimethylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C19 H20 N6 O S |
| Smiles: | Cc1ccc(cc1C)NCC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5224 |
| logD: | 3.2359 |
| logSw: | -3.7499 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.234 |
| InChI Key: | ZBNZNLIXQZUQCE-UHFFFAOYSA-N |