5-[(2,4-dimethoxyanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethoxyanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethoxyanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0148 |
| Compound Name: | 5-[(2,4-dimethoxyanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NCC1=CC(n2c(N1)nc(c1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8247 |
| logD: | 2.5308 |
| logSw: | -3.5107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.07 |
| InChI Key: | ZSGMGDYQGOQXNH-UHFFFAOYSA-N |