N-[2-(azepan-1-yl)ethyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
N-[2-(azepan-1-yl)ethyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K784-7082 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 563.51 |
| Molecular Formula: | C25 H31 Br N4 O4 S |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Br])(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9688 |
| logD: | 1.9921 |
| logSw: | -3.4569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.966 |
| InChI Key: | YRKWWYHSTFQIRY-QHCPKHFHSA-N |