4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate

Chemical Structure Depiction of
4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate
Available: 146 mg
Amount:
mg
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Compound characteristics

Compound ID: D443-0374
Compound Name: 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate
Molecular Weight: 399.26
Molecular Formula: C18 H11 Br N2 O2 S
Smiles: C1=COc2ccc(cc2C=C1C(Nc1ccc(cc1)SC#N)=O)[Br]
Stereo: ACHIRAL
logP: 5.0485
logD: 5.0485
logSw: -5.0289
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 46.751
InChI Key: YMRHPHMGNOVEEW-UHFFFAOYSA-N
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