7'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-1',2',3',3'a-tetrahydro-5'H-spiro[[1,3]diazinane-5,4'-pyrrolo[1,2-a]quinoline]-4,6-dione
Chemical Structure Depiction of
7'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-1',2',3',3'a-tetrahydro-5'H-spiro[[1,3]diazinane-5,4'-pyrrolo[1,2-a]quinoline]-4,6-dione
7'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-1',2',3',3'a-tetrahydro-5'H-spiro[[1,3]diazinane-5,4'-pyrrolo[1,2-a]quinoline]-4,6-dione
Compound characteristics
| Compound ID: | 8016-1254 |
| Compound Name: | 7'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-1',2',3',3'a-tetrahydro-5'H-spiro[[1,3]diazinane-5,4'-pyrrolo[1,2-a]quinoline]-4,6-dione |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | C=CCN1C(C2(Cc3cc(ccc3N3CCCC23)[N+]([O-])=O)C(NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1361 |
| logD: | 1.8801 |
| logSw: | -2.9108 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.209 |
| InChI Key: | BRNARUPOMYTHDQ-UHFFFAOYSA-N |