5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1753 |
| Compound Name: | 5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 646.73 |
| Molecular Formula: | C39 H26 N4 O4 S |
| Smiles: | C(=C1C(N(C(N(C1=O)c1ccccc1)=S)c1ccccc1)=O)c1cc(c2ccccc2)n(c2ccc(cc2)[N+]([O-])=O)c1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.4334 |
| logD: | 7.4334 |
| logSw: | -6.1632 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.083 |
| InChI Key: | HEEJEJQWMMOOGD-UHFFFAOYSA-N |