ethyl 2-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-methyl-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-[(2-chloro-6-fluorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0923 |
| Compound Name: | ethyl 2-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 580.1 |
| Molecular Formula: | C25 H27 Cl F N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)Sc1nnc(CNC(c2c(cccc2[Cl])F)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.136 |
| logD: | 1.8343 |
| logSw: | -4.7639 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.543 |
| InChI Key: | OHRBOMATKCKETQ-ZDUSSCGKSA-N |