3-nitro-1'-propyl-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'-propyl-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'-propyl-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: | 8016-8981 |
| Compound Name: | 3-nitro-1'-propyl-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: | 400.43 |
| Molecular Formula: | C20 H24 N4 O5 |
| Smiles: | CCCN1C(C2(Cc3cc(ccc3N3CCCCCC23)[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2164 |
| logD: | 3.1938 |
| logSw: | -3.4695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.336 |
| InChI Key: | WHOQXNBDZSLJMB-UHFFFAOYSA-N |