1-(4-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1773 |
| Compound Name: | 1-(4-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 584.65 |
| Molecular Formula: | C34 H24 N4 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cc(c3ccccc3)n(c3ccc(cc3)[N+]([O-])=O)c2c2ccccc2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9662 |
| logD: | 6.6238 |
| logSw: | -5.6648 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.79 |
| InChI Key: | JBVQSAWTIIIUHB-UHFFFAOYSA-N |