5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C370-0562 |
| Compound Name: | 5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 376.78 |
| Molecular Formula: | C15 H9 Cl N4 O4 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cccn1c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.04 |
| logD: | 2.67 |
| logSw: | -3.7029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.236 |
| InChI Key: | KVYGZLAFBRWXRY-UHFFFAOYSA-N |