5-[(4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 1317-0174 |
| Compound Name: | 5-[(4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 292.27 |
| Molecular Formula: | C11 H8 N4 O4 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5887 |
| logD: | 1.1551 |
| logSw: | -2.4192 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.608 |
| InChI Key: | BDAVLMHMNBYEQM-UHFFFAOYSA-N |