N-[2-(azepan-1-yl)ethyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F680-0704 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C26 H32 N4 O2 S |
| Smiles: | Cc1ccc(CN2C(C(=Nc3ccccc23)SCC(NCCN2CCCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7153 |
| logD: | 2.4221 |
| logSw: | -3.7451 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.224 |
| InChI Key: | JNGGXJQPCNMPOO-UHFFFAOYSA-N |