5-({3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 3681-1136 |
Compound Name: | 5-({3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 396.46 |
Molecular Formula: | C21 H20 N2 O4 S |
Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1OCc1ccc(C)cc1 |
Stereo: | ACHIRAL |
logP: | 3.6871 |
logD: | 3.2615 |
logSw: | -3.9586 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.15 |
InChI Key: | MLTHHZMVFFNGMG-UHFFFAOYSA-N |