ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-methoxyphenyl)-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-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0671 |
| Compound Name: | ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 679.82 |
| Molecular Formula: | C33 H37 N5 O7 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5826 |
| logD: | 2.6225 |
| logSw: | -4.3893 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.913 |
| InChI Key: | RIFCHHUUYBYNHE-UHFFFAOYSA-N |