5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C370-0555 |
| Compound Name: | 5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 342.33 |
| Molecular Formula: | C15 H10 N4 O4 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cccn1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7132 |
| logD: | 2.3431 |
| logSw: | -3.3018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.537 |
| InChI Key: | GFNQUOQJWYCJOP-UHFFFAOYSA-N |