5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-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-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3288-0066 |
| Compound Name: | 5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C30 H24 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2cc(C)n(c3ccc(cc3)Sc3ccc(cc3)[N+]([O-])=O)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1589 |
| logD: | 6.0531 |
| logSw: | -5.4523 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.003 |
| InChI Key: | KTTMMQKIDDOMPA-UHFFFAOYSA-N |