5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0741 |
| Compound Name: | 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC(C)(C)n1cccc1\C=C1/C(NC(N(C1=O)c1ccc(cc1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9949 |
| logD: | 2.8963 |
| logSw: | -3.535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.268 |
| InChI Key: | RYRHKOMWUNSCET-UHFFFAOYSA-N |