N-(4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)acetamide
N-(4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)acetamide
Compound characteristics
| Compound ID: | 8005-6010 |
| Compound Name: | N-(4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)acetamide |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C16 H13 N3 O5 |
| Smiles: | CC(Nc1ccc(cc1)/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3137 |
| logD: | 2.3134 |
| logSw: | -3.0895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.824 |
| InChI Key: | VQHAVXWHGDULTD-UHFFFAOYSA-N |