1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8012-5957 |
| Compound Name: | 1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 345.8 |
| Molecular Formula: | C16 H12 Cl N3 O2 S |
| Smiles: | Cn1cccc1\C=C1/C(NC(N(C1=O)c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.921 |
| logD: | 2.4138 |
| logSw: | -3.6663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.126 |
| InChI Key: | HVNPYWGQHZTHFA-UHFFFAOYSA-N |