methyl 2-[2-({3-[(4-chlorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(4-chlorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(4-chlorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G766-1650 |
| Compound Name: | methyl 2-[2-({3-[(4-chlorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C25 H20 Cl N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c(Cc2ccc(cc2)[Cl])nc2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5573 |
| logD: | 5.5408 |
| logSw: | -5.9314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | MIIVKZOTRLFTCR-UHFFFAOYSA-N |