1-(4-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-4426 |
| Compound Name: | 1-(4-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 331.78 |
| Molecular Formula: | C15 H10 Cl N3 O2 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Cl])=S)=O)/c1ccc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.5774 |
| logD: | 2.2089 |
| logSw: | -3.4087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.79 |
| InChI Key: | TZIACVAYKVLEBG-UHFFFAOYSA-N |