1-(3-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0122 |
| Compound Name: | 1-(3-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C23 H17 N3 O6 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2ccc(c3ccccc3[N+]([O-])=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0475 |
| logD: | 3.8141 |
| logSw: | -4.236 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.002 |
| InChI Key: | JSYZXVVNVOMYKU-UHFFFAOYSA-N |