ethyl 2-{2-[(4-butyl-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-butyl-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-butyl-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: | K403-1137 |
| Compound Name: | ethyl 2-{2-[(4-butyl-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: | 559.71 |
| Molecular Formula: | C26 H33 N5 O5 S2 |
| Smiles: | CCCCn1c(CNC(c2ccco2)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3259 |
| logD: | 2.0242 |
| logSw: | -4.0494 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.29 |
| InChI Key: | MYKKRAASOZSSJL-INIZCTEOSA-N |