ethyl 2-[2-({5-[(4-methyl-3-nitrobenzamido)methyl]-4-(2-phenylethyl)-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-({5-[(4-methyl-3-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(4-methyl-3-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1299 |
| Compound Name: | ethyl 2-[2-({5-[(4-methyl-3-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 662.79 |
| Molecular Formula: | C32 H34 N6 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccc(C)c(c2)[N+]([O-])=O)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5452 |
| logD: | 3.2229 |
| logSw: | -5.402 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.887 |
| InChI Key: | XBBAUGZVYUTNPW-FQEVSTJZSA-N |