propan-2-yl 2-[2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9176 |
| Compound Name: | propan-2-yl 2-[2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C25 H32 N6 O4 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CSc1nnc(c2ccn(C)n2)n1CC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2161 |
| logD: | 1.1649 |
| logSw: | -3.6583 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.613 |
| InChI Key: | YXCBCOCDGGTVQW-MRXNPFEDSA-N |