4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-phenylaniline
Chemical Structure Depiction of
4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-phenylaniline
4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-phenylaniline
Compound characteristics
Compound ID: | 8006-3912 |
Compound Name: | 4-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-phenylaniline |
Molecular Weight: | 361.36 |
Molecular Formula: | C20 H15 N3 O4 |
Smiles: | C1Oc2cc(/C=N/c3ccc(cc3)Nc3ccccc3)c(cc2O1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.422 |
logD: | 4.4217 |
logSw: | -4.4955 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.474 |
InChI Key: | PVQQARYVGKRCQX-UHFFFAOYSA-N |