ethyl 2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9510 |
| Compound Name: | ethyl 2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 558.72 |
| Molecular Formula: | C26 H34 N6 O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(Cn2ccc(C)n2)n1CC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9736 |
| logD: | 0.9224 |
| logSw: | -3.2174 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.015 |
| InChI Key: | RFQLBVVRXZHGMX-GOSISDBHSA-N |