4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-3-yl)butanamide
Chemical Structure Depiction of
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-3-yl)butanamide
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-3-yl)butanamide
Compound characteristics
Compound ID: | 8012-3360 |
Compound Name: | 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-3-yl)butanamide |
Molecular Weight: | 299.29 |
Molecular Formula: | C14 H13 N5 O3 |
Smiles: | C(CC(Nc1nnc[nH]1)=O)CN1C(c2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | -0.8746 |
logD: | -0.9022 |
logSw: | -2.0847 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.456 |
InChI Key: | KLTXHYVLQNCIBM-UHFFFAOYSA-N |