5-[(3-bromoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-bromoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-bromoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8003-4147 |
| Compound Name: | 5-[(3-bromoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 326.17 |
| Molecular Formula: | C11 H8 Br N3 O2 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)Nc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.3505 |
| logD: | 1.9168 |
| logSw: | -3.0421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.227 |
| InChI Key: | ICJPREKWWIJTOF-UHFFFAOYSA-N |