5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 4058-0414 |
Compound Name: | 5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 491.43 |
Molecular Formula: | C25 H18 F N3 O7 |
Smiles: | COc1cc(/C=C2/C(NC(N(C2=O)c2ccccc2F)=O)=O)c(cc1OCc1ccccc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.0405 |
logD: | 1.9315 |
logSw: | -3.6346 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 101.115 |
InChI Key: | WNHDOKWQWDCPRA-UHFFFAOYSA-N |