2-(2-methoxyethyl)-1,3-dioxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-1,3-dioxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
2-(2-methoxyethyl)-1,3-dioxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-3492 |
| Compound Name: | 2-(2-methoxyethyl)-1,3-dioxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | COCCN1C(c2ccc(cc2C1=O)C(Nc1ccc(Cn2cncn2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0322 |
| logD: | 1.0312 |
| logSw: | -2.3511 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.152 |
| InChI Key: | XNDXALHNKAALKW-UHFFFAOYSA-N |