prop-2-en-1-yl 3-(3-chlorophenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate

Chemical Structure Depiction of
prop-2-en-1-yl 3-(3-chlorophenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Available: 93 mg
Amount:
mg
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Compound characteristics

Compound ID: K272-1659
Compound Name: prop-2-en-1-yl 3-(3-chlorophenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Molecular Weight: 414.91
Molecular Formula: C21 H19 Cl N2 O3 S
Smiles: CC12C(C(c3ccccc3O2)NC(N1c1cccc(c1)[Cl])=S)C(=O)OCC=C
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.7851
logD: 4.7851
logSw: -4.9342
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 41.56
InChI Key: GBXMLPVOSVVVKA-UHFFFAOYSA-N
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