N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3-methyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3-methyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3-methyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F671-0197 |
| Compound Name: | N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3-methyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | [H]c1cc2c(cc1[H])N(Cc1ccc(cc1)C(NCCSCc1c(C)[nH]cn1)=O)C(C(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8287 |
| logD: | 2.4777 |
| logSw: | -3.3267 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.549 |
| InChI Key: | YAKNXOPPCPVQQN-UHFFFAOYSA-N |