N-[4-({1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]but-2-ynamide
Chemical Structure Depiction of
N-[4-({1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]but-2-ynamide
N-[4-({1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]but-2-ynamide
Compound characteristics
| Compound ID: | T001-1183 |
| Compound Name: | N-[4-({1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]but-2-ynamide |
| Molecular Weight: | 411.42 |
| Molecular Formula: | C24 H17 N3 O4 |
| Smiles: | CC#CC(Nc1ccc(cc1)Oc1ccc2C(N(Cc3cccnc3)C(c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6118 |
| logD: | 3.6118 |
| logSw: | -3.6746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.906 |
| InChI Key: | CRDHEZLFPMCHBB-UHFFFAOYSA-N |