5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 1016-0020 |
Compound Name: | 5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 514.99 |
Molecular Formula: | C28 H19 Cl N2 O4 S |
Smiles: | COc1ccc(cc1[Cl])c1ccc(C=C2C(N(C(N(C2=O)c2ccccc2)=S)c2ccccc2)=O)o1 |
Stereo: | ACHIRAL |
logP: | 5.122 |
logD: | 5.122 |
logSw: | -5.7821 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 45.721 |
InChI Key: | PCWLJXOJHZAIRA-UHFFFAOYSA-N |