1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Chemical Structure Depiction of
1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Compound characteristics
| Compound ID: | 8009-4137 |
| Compound Name: | 1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate |
| Molecular Weight: | 581.92 |
| Molecular Formula: | C27 H22 Br Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)[Br])N(C(=N)SC2CC(N(C2=O)c2cccc(c2)[Cl])=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3462 |
| logD: | 5.4822 |
| logSw: | -6.3959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.973 |
| InChI Key: | IABVNNCJWCVQGB-UHFFFAOYSA-N |