ethyl 2-[2-({5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[2-({5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9104 |
| Compound Name: | ethyl 2-[2-({5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 549.07 |
| Molecular Formula: | C23 H25 Cl N6 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2c(c(C)nn2C)[Cl])n1Cc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7853 |
| logD: | 1.6931 |
| logSw: | -4.8348 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.284 |
| InChI Key: | IVTLHGUPKCOCRY-UHFFFAOYSA-N |