ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0139 |
| Compound Name: | ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 655.15 |
| Molecular Formula: | C29 H27 Cl N6 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccc(C)c(c2)[N+]([O-])=O)=O)n1c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2323 |
| logD: | 3.2517 |
| logSw: | -5.8412 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.438 |
| InChI Key: | JEGMVLBTQREZQI-UHFFFAOYSA-N |