1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Chemical Structure Depiction of
1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate
Compound characteristics
| Compound ID: | 8009-6452 |
| Compound Name: | 1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl 5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate |
| Molecular Weight: | 589.53 |
| Molecular Formula: | C28 H21 Br N4 O2 S2 |
| Smiles: | C1C(c2ccc(cc2)[Br])N(C(=N)SC2CC(N(C2=O)c2cccc3ccccc23)=O)N=C1c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3687 |
| logD: | 5.8536 |
| logSw: | -7.1094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.419 |
| InChI Key: | VZJPCXZVYWNEFE-UHFFFAOYSA-N |