5-[(3-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8003-4097 |
| Compound Name: | 5-[(3-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 261.3 |
| Molecular Formula: | C12 H11 N3 O2 S |
| Smiles: | Cc1cccc(c1)NC=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9023 |
| logD: | 1.4687 |
| logSw: | -2.5614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.227 |
| InChI Key: | ZHEBRRWFMCHRRS-UHFFFAOYSA-N |