N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
Compound ID: | K784-7086 |
Compound Name: | N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
Molecular Weight: | 577.54 |
Molecular Formula: | C26 H33 Br N4 O4 S |
Smiles: | C1CCCN(CC1)CCCNC(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Br])(=O)=O)N2)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.092 |
logD: | 0.5214 |
logSw: | -3.4454 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 93.966 |
InChI Key: | XIQGAJBUTJUYFQ-DEOSSOPVSA-N |