6-benzyl-3-(3,4-dimethylanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-benzyl-3-(3,4-dimethylanilino)-1,2,4-triazin-5(4H)-one
6-benzyl-3-(3,4-dimethylanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0094 |
| Compound Name: | 6-benzyl-3-(3,4-dimethylanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 306.37 |
| Molecular Formula: | C18 H18 N4 O |
| Smiles: | Cc1ccc(cc1C)NC1NC(C(Cc2ccccc2)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2559 |
| logD: | 4.2558 |
| logSw: | -4.3428 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | STMFZSXZFPUWBQ-UHFFFAOYSA-N |