ethyl 6-methyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-8924 |
| Compound Name: | ethyl 6-methyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C17 H22 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nncn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7215 |
| logD: | 0.6703 |
| logSw: | -3.0464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.35 |
| InChI Key: | CXQWUWGTACWVBZ-SNVBAGLBSA-N |