1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Chemical Structure Depiction of
1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Compound characteristics
| Compound ID: | 8009-6310 |
| Compound Name: | 1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate |
| Molecular Weight: | 553.5 |
| Molecular Formula: | C25 H21 Br N4 O2 S2 |
| Smiles: | Cc1cccc(c1)N1C(CC(C1=O)SC(=N)N1C(CC(c2cccs2)=N1)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6186 |
| logD: | 5.1036 |
| logSw: | -5.4246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.992 |
| InChI Key: | ZDBPATDNVKOIAZ-UHFFFAOYSA-N |