6-(1H-imidazole-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(1H-imidazole-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
6-(1H-imidazole-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | Y043-5326 |
| Compound Name: | 6-(1H-imidazole-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 243.22 |
| Molecular Formula: | C12 H9 N3 O3 |
| Smiles: | C1C(Nc2cc(ccc2O1)C(n1ccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1596 |
| logD: | -0.1596 |
| logSw: | -1.6647 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.43 |
| InChI Key: | VJODCQLPYLAZCZ-UHFFFAOYSA-N |