ethyl 2-{2-[(4-benzyl-5-{[(thiophene-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-benzyl-5-{[(thiophene-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-benzyl-5-{[(thiophene-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: | K403-0439 |
Compound Name: | ethyl 2-{2-[(4-benzyl-5-{[(thiophene-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: | 609.79 |
Molecular Formula: | C29 H31 N5 O4 S3 |
Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1Cc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2224 |
logD: | 3.1712 |
logSw: | -5.0186 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.598 |
InChI Key: | AOQFGDGXFJBZQS-UHFFFAOYSA-N |