5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 0947-0197 |
| Compound Name: | 5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | CC(n1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=S)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3482 |
| logD: | 1.6756 |
| logSw: | -2.7363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.899 |
| InChI Key: | MZCBTUKHBLHMNI-UHFFFAOYSA-N |