5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-8469 |
| Compound Name: | 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | Cc1ccccc1N1C(C(=C\c2cc(C)n(c3ccccc3)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8669 |
| logD: | 3.5764 |
| logSw: | -4.0384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.592 |
| InChI Key: | KCCKQRQKOINBCZ-UHFFFAOYSA-N |