ethyl 2-{2-[(4-cyclohexyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-cyclohexyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-cyclohexyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1142 |
| Compound Name: | ethyl 2-{2-[(4-cyclohexyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 585.74 |
| Molecular Formula: | C28 H35 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccco2)=O)n1C1CCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7065 |
| logD: | 2.4048 |
| logSw: | -4.3133 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.616 |
| InChI Key: | NHDQRAUZWCADNC-KRWDZBQOSA-N |