3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-{4-[(thiophene-2-carbonyl)amino]phenyl}-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-{4-[(thiophene-2-carbonyl)amino]phenyl}-1H-pyrazol-5-yl acetate
3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-{4-[(thiophene-2-carbonyl)amino]phenyl}-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V002-2587 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-{4-[(thiophene-2-carbonyl)amino]phenyl}-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 553.64 |
| Molecular Formula: | C31 H27 N3 O5 S |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2cccs2)=O)c(c2ccc(c(c2)OC)OC)nn1c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2075 |
| logD: | 6.2075 |
| logSw: | -5.6073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.944 |
| InChI Key: | SUNRESCZWVMUPP-UHFFFAOYSA-N |