5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1285 |
| Compound Name: | 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C31 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C\c2cc(C)n(c3cccc(c3)[N+]([O-])=O)c2C)\C(N(C1=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5495 |
| logD: | 5.5495 |
| logSw: | -5.4926 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.567 |
| InChI Key: | AZILIWHGKPDJQA-UHFFFAOYSA-N |