ethyl 2-[2-({4-(2-methoxyphenyl)-5-[(4-nitrobenzamido)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-(2-methoxyphenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-(2-methoxyphenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0894 |
| Compound Name: | ethyl 2-[2-({4-(2-methoxyphenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 650.73 |
| Molecular Formula: | C30 H30 N6 O7 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1c1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5441 |
| logD: | 2.3134 |
| logSw: | -4.4502 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.282 |
| InChI Key: | WGQRRDHPEIKIQW-KRWDZBQOSA-N |