5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0744 |
| Compound Name: | 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 277.34 |
| Molecular Formula: | C13 H15 N3 O2 S |
| Smiles: | CC(C)(C)n1cccc1C=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.174 |
| logD: | 2.0571 |
| logSw: | -2.7516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.122 |
| InChI Key: | QFIRHQLMBFEQEE-UHFFFAOYSA-N |