methyl 2-[2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G766-1651 |
| Compound Name: | methyl 2-[2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C25 H20 F N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c(Cc2ccc(cc2)F)nc2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9917 |
| logD: | 4.9752 |
| logSw: | -4.6761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | UOYVSKQUIKTNID-UHFFFAOYSA-N |