ethyl 2-[2-({4-benzyl-5-[(3,5-dimethoxybenzamido)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-({4-benzyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-benzyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0939 |
| Compound Name: | ethyl 2-[2-({4-benzyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 649.79 |
| Molecular Formula: | C32 H35 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2cc(cc(c2)OC)OC)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.313 |
| logD: | 2.9908 |
| logSw: | -5.2315 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.915 |
| InChI Key: | MNCIAUYISOUZKJ-IBGZPJMESA-N |