methyl 6-tert-butyl-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
methyl 6-tert-butyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-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: | 8010-3978 |
| Compound Name: | methyl 6-tert-butyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C19 H26 N4 O3 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(CSc3nncn3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4625 |
| logD: | 1.4113 |
| logSw: | -3.7851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.771 |
| InChI Key: | WNXAHCAVWXTBDV-LLVKDONJSA-N |