methyl 5-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | D278-1230 |
| Compound Name: | methyl 5-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4879 |
| logD: | 4.4879 |
| logSw: | -4.5106 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.873 |
| InChI Key: | FQYLGCUEBGAERZ-UHFFFAOYSA-N |