ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1239 |
| Compound Name: | ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 663.82 |
| Molecular Formula: | C33 H37 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3438 |
| logD: | 3.1336 |
| logSw: | -5.2475 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.466 |
| InChI Key: | HMTHKKDOJRCDLL-FQEVSTJZSA-N |