5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0739 |
| Compound Name: | 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 291.37 |
| Molecular Formula: | C14 H17 N3 O2 S |
| Smiles: | CC(C)(C)n1cccc1\C=C1/C(NC(N(C)C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6186 |
| logD: | 1.5631 |
| logSw: | -2.3183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.373 |
| InChI Key: | CMSOBFGODZYESE-UHFFFAOYSA-N |