4-[3-({[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](imino)methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-({[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](imino)methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
4-[3-({[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](imino)methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-6409 |
| Compound Name: | 4-[3-({[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](imino)methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid |
| Molecular Weight: | 591.48 |
| Molecular Formula: | C28 H23 Br N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)[Br])N(C(=N)SC2CC(N(C2=O)c2ccc(cc2)C(O)=O)=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5549 |
| logD: | 5.5549 |
| logSw: | -5.3355 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.382 |
| InChI Key: | CADAWSUUPPCVIK-UHFFFAOYSA-N |