1-(3,4-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3,4-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8006-8059 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C29 H21 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C\c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C(N(C1=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0766 |
| logD: | 6.0766 |
| logSw: | -5.5308 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.472 |
| InChI Key: | BVEURLXEQQBTAU-UHFFFAOYSA-N |