2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K977-0541 |
| Compound Name: | 2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 508.43 |
| Molecular Formula: | C22 H26 Br N3 O4 S |
| Smiles: | CC(C)CCNC(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Br])(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3201 |
| logD: | 3.3197 |
| logSw: | -3.7928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.924 |
| InChI Key: | QCNOBNTVXALUQJ-FQEVSTJZSA-N |