5-{[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3351-0004 |
| Compound Name: | 5-{[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C21 H19 Cl N2 O5 S |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=S)=O)cc(c1OCCOc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2526 |
| logD: | 3.827 |
| logSw: | -4.4628 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.573 |
| InChI Key: | PFALGRNUFAUWCG-UHFFFAOYSA-N |