4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F543-0587 |
| Compound Name: | 4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | CCCN1C(Nc2cc(ccc12)c1nc(CN2C(COc3ccccc23)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6142 |
| logD: | 3.6142 |
| logSw: | -3.7773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.485 |
| InChI Key: | ULOJBYQEYJPBCT-UHFFFAOYSA-N |