ethyl 2-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-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-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0410 |
| Compound Name: | ethyl 2-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 626.58 |
| Molecular Formula: | C26 H29 Cl2 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(COc2ccc(cc2[Cl])[Cl])=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5081 |
| logD: | 2.4569 |
| logSw: | -4.8613 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.033 |
| InChI Key: | NVMPRCBEGLICNG-UHFFFAOYSA-N |