5-[(4-methoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-methoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-methoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0592 |
| Compound Name: | 5-[(4-methoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C18 H18 N6 O2 S |
| Smiles: | COc1ccc(cc1)NCC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6449 |
| logD: | 2.3584 |
| logSw: | -3.1643 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.777 |
| InChI Key: | QUANZTZOYSCQQM-UHFFFAOYSA-N |