2-(anilinomethyl)-6-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(anilinomethyl)-6-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(anilinomethyl)-6-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1563 |
| Compound Name: | 2-(anilinomethyl)-6-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 379.85 |
| Molecular Formula: | C20 H18 Cl N5 O |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(n2c(N1)nc(CNc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7577 |
| logD: | 2.6373 |
| logSw: | -4.2502 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.477 |
| InChI Key: | NWIUBWDKWYQSQV-UHFFFAOYSA-N |