5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0742 |
| Compound Name: | 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cccn2C(C)(C)C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4359 |
| logD: | 3.3373 |
| logSw: | -3.7067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.725 |
| InChI Key: | WYUDOHCMUUVHLV-UHFFFAOYSA-N |