1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0556 |
| Compound Name: | 1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C23 H19 N3 O2 S |
| Smiles: | Cc1cccc(c1C)N1C(C(=C\c2cccn2c2ccccc2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4759 |
| logD: | 4.238 |
| logSw: | -4.3229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.457 |
| InChI Key: | NLQRQGQUCNJDCR-UHFFFAOYSA-N |