5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0740 |
| Compound Name: | 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2cccn2C(C)(C)C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0477 |
| logD: | 4.0437 |
| logSw: | -4.1132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.725 |
| InChI Key: | JKQBOFBDHYDVKE-UHFFFAOYSA-N |