2-{2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y205-4337 |
| Compound Name: | 2-{2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C17 H23 N5 O2 S2 |
| Smiles: | CCc1nnc(n1C)SCC(Nc1c(C(N)=O)c2CCC(C)Cc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1892 |
| logD: | 0.8997 |
| logSw: | -2.0127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.222 |
| InChI Key: | PIQDANFMKSINCU-SECBINFHSA-N |