2-(2-methylpropyl)-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-methylpropyl)-1,3-dioxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
2-(2-methylpropyl)-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: | Y042-3508 |
| Compound Name: | 2-(2-methylpropyl)-1,3-dioxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | CC(C)CN1C(c2ccc(cc2C1=O)C(Nc1ccc(Cn2cncn2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5101 |
| logD: | 2.5091 |
| logSw: | -3.0729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.831 |
| InChI Key: | USMIUFHMQUVTLZ-UHFFFAOYSA-N |