N-benzyl-4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide
N-benzyl-4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide
Compound characteristics
| Compound ID: | G741-0418 |
| Compound Name: | N-benzyl-4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CSc1ccc(CCNC(CN2C(CN(C(NCc3ccccc3)=O)c3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.117 |
| logD: | 3.117 |
| logSw: | -3.4616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.4 |
| InChI Key: | PMXVFULTSPOZRV-UHFFFAOYSA-N |