1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0100 |
| Compound Name: | 1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 475.36 |
| Molecular Formula: | C21 H19 Br N2 O4 S |
| Smiles: | C1CCC(CC1)Sc1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.404 |
| logD: | 5.0913 |
| logSw: | -5.5315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.373 |
| InChI Key: | KFSCOAHUZKKVAU-UHFFFAOYSA-N |