N-(3-ethynylphenyl)-2-{3-[(3-ethynylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
N-(3-ethynylphenyl)-2-{3-[(3-ethynylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
N-(3-ethynylphenyl)-2-{3-[(3-ethynylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | 2036-0725 |
| Compound Name: | N-(3-ethynylphenyl)-2-{3-[(3-ethynylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C32 H19 N3 O4 |
| Smiles: | C#Cc1cccc(c1)NC(c1cccc(c1)N1C(c2ccc(cc2C1=O)C(Nc1cccc(C#C)c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4762 |
| logD: | 5.464 |
| logSw: | -5.8959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.062 |
| InChI Key: | XORFNWHFOIJFSS-UHFFFAOYSA-N |