propan-2-yl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate

Chemical Structure Depiction of
propan-2-yl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Available: 153 mg
Amount:
mg
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Compound characteristics

Compound ID: D443-0413
Compound Name: propan-2-yl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Molecular Weight: 428.28
Molecular Formula: C21 H18 Br N O4
Smiles: CC(C)OC(c1ccc(cc1)NC(C1C=COc2ccc(cc2C=1)[Br])=O)=O
Stereo: ACHIRAL
logP: 5.5158
logD: 5.5156
logSw: -5.5571
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 49.387
InChI Key: RUXRPDJUJRANQG-UHFFFAOYSA-N
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