5-[(3-chloro-2-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[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)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloro-2-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0600 |
| Compound Name: | 5-[(3-chloro-2-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 400.89 |
| Molecular Formula: | C18 H17 Cl N6 O S |
| Smiles: | Cc1c(cccc1[Cl])NCC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7091 |
| logD: | 3.4233 |
| logSw: | -3.9664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.536 |
| InChI Key: | YHQUNOMZHLMLLW-UHFFFAOYSA-N |