rel-(6R,7aS)-N-(4-bromo-2-fluorophenyl)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Chemical Structure Depiction of
rel-(6R,7aS)-N-(4-bromo-2-fluorophenyl)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Available: 855 mg
Amount:
mg
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Compound characteristics

Compound ID: K784-3833
Compound Name: rel-(6R,7aS)-N-(4-bromo-2-fluorophenyl)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Molecular Weight: 630.94
Molecular Formula: C30 H30 Br Cl F N3 O4
Smiles: CC1CCCCC1NC(C(c1ccc(cc1)[Cl])N1C[C@@]23C=C[C@@H](C(C(Nc4ccc(cc4F)[Br])=O)[C@H]2C1=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.8488
logD: 5.2802
logSw: -6.2852
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 70.596
InChI Key: HXISLEHWQJYIBE-WAKPOZSJSA-N
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