N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F680-0576 |
| Compound Name: | N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C18 H21 N5 O2 S2 |
| Smiles: | Cc1c(CSCCNC(CSC2C(N(C)c3ccccc3N=2)=O)=O)nc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.9973 |
| logD: | 0.6463 |
| logSw: | -2.0719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.619 |
| InChI Key: | OKIIWZJEXIJQNL-UHFFFAOYSA-N |