5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0149 |
| Compound Name: | 5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 453.86 |
| Molecular Formula: | C21 H12 Cl N3 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=S)=O)/c1ccc(c2cc(ccc2[Cl])[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2341 |
| logD: | 3.8479 |
| logSw: | -4.7081 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.18 |
| InChI Key: | LSSNIFHABSVFRH-UHFFFAOYSA-N |