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
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
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 |