ethyl 2-[2-({4-benzyl-5-[(2-methoxybenzamido)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-benzyl-5-[(2-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-benzyl-5-[(2-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0752 |
| Compound Name: | ethyl 2-[2-({4-benzyl-5-[(2-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 619.76 |
| Molecular Formula: | C31 H33 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2ccccc2OC)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0144 |
| logD: | 2.9632 |
| logSw: | -4.7017 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.879 |
| InChI Key: | AFSZAESAMYVWCO-UHFFFAOYSA-N |