4-[4-acetyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-5-methyl-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[4-acetyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-5-methyl-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one
4-[4-acetyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-5-methyl-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | G642-5734 |
| Compound Name: | 4-[4-acetyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-5-methyl-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CC1=C(C2=NN(C(c3csc4CCCCc34)O2)C(C)=O)C(N(c2ccccc2)N1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7936 |
| logD: | 4.7936 |
| logSw: | -4.6252 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.632 |
| InChI Key: | QKLKYWCXFQYFLQ-NDEPHWFRSA-N |