2-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3699-0893 |
| Compound Name: | 2-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 548.71 |
| Molecular Formula: | C33 H32 N4 O2 S |
| Smiles: | CC1/C(=C\c2cc(C)n(c2C)c2c(C(Nc3ccc(C)cc3)=O)c3CCCCc3s2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8411 |
| logD: | 6.8411 |
| logSw: | -5.6238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.332 |
| InChI Key: | ZPQFOVKFIIZXSC-UHFFFAOYSA-N |