5-[(3-chloro-2-methylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloro-2-methylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloro-2-methylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0160 |
| Compound Name: | 5-[(3-chloro-2-methylanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 371.85 |
| Molecular Formula: | C17 H14 Cl N5 O S |
| Smiles: | Cc1c(cccc1[Cl])NCC1=CC(n2c(N1)nc(c1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.037 |
| logD: | 3.7465 |
| logSw: | -4.1917 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.896 |
| InChI Key: | YXTOQUFJLAPGAP-UHFFFAOYSA-N |