1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 0947-0181 |
| Compound Name: | 1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | CN(C)c1ccc(\C=C2/C(NC(N(Cc3ccccc3)C2=O)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2 |
| logD: | 3.1651 |
| logSw: | -3.6245 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.424 |
| InChI Key: | GTPIYRGWRYARIV-UHFFFAOYSA-N |