3-nitro-1'-phenyl-2'-sulfanylidene-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-4',6'-dione
Chemical Structure Depiction of
3-nitro-1'-phenyl-2'-sulfanylidene-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-4',6'-dione
3-nitro-1'-phenyl-2'-sulfanylidene-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-4',6'-dione
Compound characteristics
| Compound ID: | 8017-4876 |
| Compound Name: | 3-nitro-1'-phenyl-2'-sulfanylidene-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-4',6'-dione |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | C1CCC2C3(Cc4cc(ccc4N2CC1)[N+]([O-])=O)C(NC(N(C3=O)c1ccccc1)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7016 |
| logD: | 2.9295 |
| logSw: | -4.0333 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.312 |
| InChI Key: | FZCCZLXWUCTEQF-UHFFFAOYSA-N |