1,3-dimethyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1,3-dimethyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1,3-dimethyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-2153 |
| Compound Name: | 1,3-dimethyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | CN1C(C(=Cc2ccc(c3ccccc3[N+]([O-])=O)o2)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.842 |
| logD: | 1.842 |
| logSw: | -2.4925 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.468 |
| InChI Key: | WEPIQAMLNFRLII-UHFFFAOYSA-N |