5-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
5-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1,3-dihydro-2H-benzimidazol-2-one
5-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8001-7419 |
| Compound Name: | 5-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 326.27 |
| Molecular Formula: | C15 H10 N4 O5 |
| Smiles: | C1Oc2cc(/C=N/c3ccc4c(c3)NC(N4)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2805 |
| logD: | 2.2804 |
| logSw: | -3.132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.289 |
| InChI Key: | XWFMODBBOXXPDY-UHFFFAOYSA-N |