1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Compound characteristics
| Compound ID: | 8009-4216 |
| Compound Name: | 1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate |
| Molecular Weight: | 577.5 |
| Molecular Formula: | C28 H25 Br N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)[Br])N(C(=N)SC2CC(N(C2=O)c2ccc(cc2)OC)=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6891 |
| logD: | 4.825 |
| logSw: | -5.4835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.517 |
| InChI Key: | KEZIMGWJMVKRAO-UHFFFAOYSA-N |