5-[(3-chloro-2-methylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloro-2-methylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloro-2-methylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0218 |
| Compound Name: | 5-[(3-chloro-2-methylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 395.85 |
| Molecular Formula: | C20 H18 Cl N5 O2 |
| Smiles: | Cc1c(cccc1[Cl])NCC1=CC(n2c(N1)nc(c1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.299 |
| logD: | 4.0959 |
| logSw: | -4.4402 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.421 |
| InChI Key: | ITTJJBXPSGUZKD-UHFFFAOYSA-N |