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 |