ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0661 |
| Compound Name: | ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 693.84 |
| Molecular Formula: | C34 H39 N5 O7 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1747 |
| logD: | 3.2146 |
| logSw: | -5.0561 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.707 |
| InChI Key: | HZOAQEPPCZHRMI-UHFFFAOYSA-N |