5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 0987-0159 |
| Compound Name: | 5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | CN(C)c1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9525 |
| logD: | 1.5269 |
| logSw: | -2.7985 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.21 |
| InChI Key: | RPXAGJLSHZTZAL-UHFFFAOYSA-N |