N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | Y021-1412 |
| Compound Name: | N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C25 H19 N5 O4 |
| Smiles: | C(C(C(/N=C(\N)Nc1nc2ccccc2o1)=O)N1C(c2ccccc2C1=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8301 |
| logD: | 3.8033 |
| logSw: | -4.4644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.94 |
| InChI Key: | DHIFDKNHQLDJRO-IBGZPJMESA-N |