5-[(3,4-dimethylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3,4-dimethylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dimethylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0150 |
| Compound Name: | 5-[(3,4-dimethylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C18 H17 N5 O S |
| Smiles: | Cc1ccc(cc1C)NCC1=CC(n2c(N1)nc(c1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8502 |
| logD: | 3.559 |
| logSw: | -3.9125 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.593 |
| InChI Key: | VNEURYYLGYQAMV-UHFFFAOYSA-N |