methyl 2-{[(quinolin-2-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[(quinolin-2-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
methyl 2-{[(quinolin-2-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | 8019-3782 |
| Compound Name: | methyl 2-{[(quinolin-2-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C19 H14 N2 O3 S |
| Smiles: | COC(c1ccc2c(c1)nc(o2)SCc1ccc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.629 |
| logD: | 4.6286 |
| logSw: | -5.1326 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.63 |
| InChI Key: | XXSMKUFKWFHASI-UHFFFAOYSA-N |