2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-N-[(2-sulfanylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-N-[(2-sulfanylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-N-[(2-sulfanylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K784-6719 |
| Compound Name: | 2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-N-[(2-sulfanylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 560.49 |
| Molecular Formula: | C24 H22 Br N3 O4 S2 |
| Smiles: | C(c1ccccc1S)NC(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Br])(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7275 |
| logD: | 3.0367 |
| logSw: | -4.1883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 89.811 |
| InChI Key: | PCUBPHZBUHSVTD-NRFANRHFSA-N |