ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-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-[(3-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0561 |
| Compound Name: | ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 623.73 |
| Molecular Formula: | C30 H30 F N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2cccc(c2)F)=O)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5852 |
| logD: | 2.6251 |
| logSw: | -4.3999 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.321 |
| InChI Key: | PBPSSBBJZDBDIM-UHFFFAOYSA-N |