5-[(4-chloroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-chloroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-chloroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0589 |
| Compound Name: | 5-[(4-chloroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C17 H15 Cl N6 O S |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1cccs1)n2)=O)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2572 |
| logD: | 2.9714 |
| logSw: | -3.7366 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.234 |
| InChI Key: | WAWSSUAVRHPLNW-UHFFFAOYSA-N |