ethyl 2-[2-({4-(3-chlorophenyl)-5-[(3,4-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-(3-chlorophenyl)-5-[(3,4-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-(3-chlorophenyl)-5-[(3,4-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1242 |
| Compound Name: | ethyl 2-[2-({4-(3-chlorophenyl)-5-[(3,4-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 670.21 |
| Molecular Formula: | C31 H32 Cl N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0746 |
| logD: | 2.8438 |
| logSw: | -5.4419 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.832 |
| InChI Key: | DCEYYCHHRXCLNC-KRWDZBQOSA-N |