5,5'-[(3-nitrophenyl)methylene]bis[1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione]
Chemical Structure Depiction of
5,5'-[(3-nitrophenyl)methylene]bis[1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione]
5,5'-[(3-nitrophenyl)methylene]bis[1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione]
Compound characteristics
| Compound ID: | 3448-7422 |
| Compound Name: | 5,5'-[(3-nitrophenyl)methylene]bis[1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione] |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C21 H19 N5 O6 S2 |
| Smiles: | C=CCN1C(C(C(C2C(NC(N(CC=C)C2=O)=S)=O)c2cccc(c2)[N+]([O-])=O)C(NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0678 |
| logD: | -6.8637 |
| logSw: | -2.4658 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.323 |
| InChI Key: | JSAJXCPEWPQJOT-UHFFFAOYSA-N |