ethyl 2-[2-({4-methyl-5-[(3-methylbenzamido)methyl]-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-({4-methyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-methyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0251 |
| Compound Name: | ethyl 2-[2-({4-methyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 527.66 |
| Molecular Formula: | C25 H29 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2cccc(C)c2)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.484 |
| logD: | 1.4328 |
| logSw: | -3.933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.33 |
| InChI Key: | HCMXXNLFPWMEPB-UHFFFAOYSA-N |