5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8010-7882 |
| Compound Name: | 5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | Cc1cc(C=C2C(NC(NC2=O)=S)=O)c(C)n1C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9869 |
| logD: | 2.8615 |
| logSw: | -3.2805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.124 |
| InChI Key: | QWNRTVZJEMWYAC-UHFFFAOYSA-N |