5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3684-0278 |
| Compound Name: | 5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 405.81 |
| Molecular Formula: | C17 H12 Cl N3 O5 S |
| Smiles: | CN1C(C(=Cc2ccc(c3ccc(cc3[N+]([O-])=O)[Cl])o2)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5352 |
| logD: | 2.5352 |
| logSw: | -3.4001 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.468 |
| InChI Key: | VGTFDSDEPVICGU-UHFFFAOYSA-N |