2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V010-3347 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C23 H23 F N4 O5 |
| Smiles: | COc1ccc(cc1OC)N1C(N(Cc2cccc(c2)F)C(C(C(N2CCCC2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7345 |
| logD: | 2.7345 |
| logSw: | -3.016 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.52 |
| InChI Key: | VBHMTSVCJXLRKF-UHFFFAOYSA-N |