5-(anilinomethyl)-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-(anilinomethyl)-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-(anilinomethyl)-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0300 |
| Compound Name: | 5-(anilinomethyl)-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C22 H23 N5 O |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2NC(CNc3ccccc3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8727 |
| logD: | 4.6696 |
| logSw: | -4.5861 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | BNKUQQSQLKNEPG-UHFFFAOYSA-N |