1-(3-ethoxyphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-ethoxyphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-ethoxyphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0130 |
| Compound Name: | 1-(3-ethoxyphenyl)-5-{[5-(3-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(c3cccc(c3)[N+]([O-])=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4083 |
| logD: | 4.1748 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.303 |
| InChI Key: | JSRMMFQHUYGHMB-UHFFFAOYSA-N |