2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | D308-0208 |
| Compound Name: | 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C22 H21 N5 O2 S2 |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9108 |
| logD: | 2.6342 |
| logSw: | -3.192 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.005 |
| InChI Key: | YMJRUUGGQIHHJX-UHFFFAOYSA-N |