2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-3293 |
| Compound Name: | 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 377.36 |
| Molecular Formula: | C19 H15 N5 O4 |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3C2=O)C(Nc2nc[nH]n2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7058 |
| logD: | 1.32 |
| logSw: | -2.6506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.964 |
| InChI Key: | BMSPHXCUFNEHDK-UHFFFAOYSA-N |