3-nitro-1'-(prop-2-en-1-yl)-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'-(prop-2-en-1-yl)-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'-(prop-2-en-1-yl)-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: | 8016-8192 |
| Compound Name: | 3-nitro-1'-(prop-2-en-1-yl)-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: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | C=CCN1C(C2(Cc3cc(ccc3N3CCCCCC23)[N+]([O-])=O)C(NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1827 |
| logD: | 2.9267 |
| logSw: | -3.4678 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.174 |
| InChI Key: | SEXGIEBCSZPANH-UHFFFAOYSA-N |