3-nitro-1'-phenyl-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-2',4',6'-trione
Chemical Structure Depiction of
3-nitro-1'-phenyl-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-2',4',6'-trione
3-nitro-1'-phenyl-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-2',4',6'-trione
Compound characteristics
| Compound ID: | 8018-5390 |
| Compound Name: | 3-nitro-1'-phenyl-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]diazinane]-2',4',6'-trione |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | C1CCC2C3(Cc4cc(ccc4N2CC1)[N+]([O-])=O)C(NC(N(C3=O)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2739 |
| logD: | 3.1295 |
| logSw: | -3.5373 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.475 |
| InChI Key: | PQZSVUDTJJTAAD-UHFFFAOYSA-N |