4-bromo-2-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-bromo-2-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
4-bromo-2-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
Compound ID: | 8005-7007 |
Compound Name: | 4-bromo-2-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate |
Molecular Weight: | 526.3 |
Molecular Formula: | C23 H16 Br N3 O7 |
Smiles: | C1COc2cc(ccc2O1)C(N/N=C\c1cc(ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.096 |
logD: | 4.0803 |
logSw: | -4.519 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.223 |
InChI Key: | QNQPCRWWTTYYNB-UHFFFAOYSA-N |