4-[(2-methylphenyl)methyl]-2-phenyl-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-[(2-methylphenyl)methyl]-2-phenyl-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
4-[(2-methylphenyl)methyl]-2-phenyl-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V026-4652 |
| Compound Name: | 4-[(2-methylphenyl)methyl]-2-phenyl-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccccc1CN1C(C(C(N2CCCC2)=O)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4469 |
| logD: | 3.4469 |
| logSw: | -3.3203 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.259 |
| InChI Key: | AVKBXWZIVGSTNQ-UHFFFAOYSA-N |