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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9505 |
| 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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 589.13 |
| Molecular Formula: | C26 H29 Cl N6 O4 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nnc(c2c(c(C)nn2C)[Cl])n1Cc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6769 |
| logD: | 2.6256 |
| logSw: | -5.0113 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.205 |
| InChI Key: | WXAYPHCSPGPKBO-CQSZACIVSA-N |