ethyl 2-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0904 |
| Compound Name: | ethyl 2-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 582.53 |
| Molecular Formula: | C24 H25 Cl2 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccc(cc2[Cl])[Cl])=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7422 |
| logD: | 2.42 |
| logSw: | -5.132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.909 |
| InChI Key: | GIWVVWRUOIRERE-LBPRGKRZSA-N |