methyl 2-[2-({3-[(4-methylphenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(4-methylphenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(4-methylphenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G766-1461 |
| Compound Name: | methyl 2-[2-({3-[(4-methylphenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | Cc1ccc(Cc2c(nc3ccccc3n2)SCC(Nc2ccccc2C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.386 |
| logD: | 5.3695 |
| logSw: | -5.405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | PZVDEQPGQMCZKC-UHFFFAOYSA-N |