5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1596 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 483.98 |
| Molecular Formula: | C27 H18 Cl N3 O2 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cc(c2ccccc2)n(c2ccc(cc2)[Cl])c1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3735 |
| logD: | 5.9832 |
| logSw: | -6.4131 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.806 |
| InChI Key: | ZTQYUBZLFPVFND-UHFFFAOYSA-N |