2-(4-tert-butylphenyl)-5-[(5-chloro-2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-5-[(5-chloro-2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-tert-butylphenyl)-5-[(5-chloro-2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0303 |
| Compound Name: | 2-(4-tert-butylphenyl)-5-[(5-chloro-2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 437.93 |
| Molecular Formula: | C23 H24 Cl N5 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2NC(CNc3cc(ccc3OC)[Cl])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5501 |
| logD: | 5.347 |
| logSw: | -5.9665 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.508 |
| InChI Key: | XCYFGITUDNHEML-UHFFFAOYSA-N |