N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F671-0382 |
| Compound Name: | N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1(2H)-yl)methyl]benzamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | CC1C(N(Cc2ccc(cc2)C(NCCSCc2c(C)[nH]cn2)=O)c2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7661 |
| logD: | 3.4151 |
| logSw: | -3.9916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.549 |
| InChI Key: | ZFIHEGHQKRTZBE-UHFFFAOYSA-N |