N-{3-[(1H-benzimidazol-2-yl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-{3-[(1H-benzimidazol-2-yl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-{3-[(1H-benzimidazol-2-yl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | Y043-0121 |
| Compound Name: | N-{3-[(1H-benzimidazol-2-yl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | C(CNC(C1COc2ccccc2O1)=O)C(Nc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3898 |
| logD: | 1.3897 |
| logSw: | -1.9735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.505 |
| InChI Key: | DHSMEPOAQHEFOF-INIZCTEOSA-N |