ethyl 2-[2-({5-[(2-fluorobenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(2-fluorobenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(2-fluorobenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0724 |
| Compound Name: | ethyl 2-[2-({5-[(2-fluorobenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 607.73 |
| Molecular Formula: | C30 H30 F N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2ccccc2F)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.434 |
| logD: | 3.4739 |
| logSw: | -5.2929 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.992 |
| InChI Key: | PUOVTCHUCIZGFZ-UHFFFAOYSA-N |