1-(4-bromophenyl)-5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione
1-(4-bromophenyl)-5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | C639-0144 |
Compound Name: | 1-(4-bromophenyl)-5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 499.34 |
Molecular Formula: | C22 H15 Br N2 O5 S |
Smiles: | COc1ccc(cc1)Sc1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)o1 |
Stereo: | ACHIRAL |
logP: | 4.9844 |
logD: | 4.6717 |
logSw: | -4.6531 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.725 |
InChI Key: | WAJLUHMPCBTCNS-UHFFFAOYSA-N |