ethyl 6-methyl-2-{2-[([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 6-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{2-[([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: | D308-0096 |
| Compound Name: | ethyl 6-methyl-2-{2-[([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(c1c2CCC(C)Cc2sc1NC(CSc1nnc2ccc3ccccc3n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9816 |
| logD: | 2.9569 |
| logSw: | -5.3436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.7 |
| InChI Key: | MMTNEGVNDKRPMQ-CQSZACIVSA-N |