5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8002-4685 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C25 H18 N2 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2ccc3c(c2)OCO3)\C(N(C1=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1493 |
| logD: | 4.1493 |
| logSw: | -4.2781 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.636 |
| InChI Key: | QGMSUAWVVLGHSK-UHFFFAOYSA-N |