ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5867-4003 |
| Compound Name: | ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C24 H24 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc2c(C)cc3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0484 |
| logD: | 3.0237 |
| logSw: | -5.2606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.246 |
| InChI Key: | KHBNOJCMIONJGY-UHFFFAOYSA-N |