1,3-dimethyl-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1,3-dimethyl-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1,3-dimethyl-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-2159 |
| Compound Name: | 1,3-dimethyl-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C18 H15 N3 O5 S |
| Smiles: | Cc1cc(ccc1c1ccc(C=C2C(N(C)C(N(C)C2=O)=S)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6609 |
| logD: | 2.6609 |
| logSw: | -3.0552 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.769 |
| InChI Key: | TWHCWMTXAYMQOL-UHFFFAOYSA-N |