N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F671-0364 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CC1C(N(Cc2ccc(cc2)C(NCc2ccc(cc2)SC)=O)c2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1626 |
| logD: | 5.1626 |
| logSw: | -5.0063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.036 |
| InChI Key: | COPRHBXQRBIPIW-UHFFFAOYSA-N |