1-(4-bromo-2-methylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromo-2-methylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromo-2-methylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0591 |
| Compound Name: | 1-(4-bromo-2-methylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C22 H16 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1N1C(C(=C\c2cccn2c2ccccc2)\C(NC1=S)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9834 |
| logD: | 4.2999 |
| logSw: | -4.6213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.457 |
| InChI Key: | FRWAKJRUWHBCMQ-UHFFFAOYSA-N |