2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
Compound ID: | K784-6715 |
Compound Name: | 2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
Molecular Weight: | 548.5 |
Molecular Formula: | C25 H30 Br N3 O4 S |
Smiles: | C1CCCC(CCC1)NC(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Br])(=O)=O)N2)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6182 |
logD: | 4.6178 |
logSw: | -4.5374 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 89.868 |
InChI Key: | LENYHJLWWKWIIR-QHCPKHFHSA-N |