1-(3-methoxyphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-methoxyphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-methoxyphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-7444 |
| Compound Name: | 1-(3-methoxyphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | COc1cccc(c1)N1C(C(=C\c2ccc[nH]2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1465 |
| logD: | 1.9255 |
| logSw: | -2.9221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.334 |
| InChI Key: | XRROVPWRCLRNCD-UHFFFAOYSA-N |