ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0510 |
| Compound Name: | ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 559.71 |
| Molecular Formula: | C26 H33 N5 O5 S2 |
| Smiles: | CCCCn1c(CNC(c2ccco2)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2555 |
| logD: | 2.2043 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.408 |
| InChI Key: | GHGVFSTXLOPDLR-UHFFFAOYSA-N |