5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0174 |
| Compound Name: | 5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cc(C)n(c3ccc(cc3)[N+]([O-])=O)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9094 |
| logD: | 3.8036 |
| logSw: | -3.9593 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.275 |
| InChI Key: | DUISTVSWODOTSU-UHFFFAOYSA-N |