5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 2368-0138 |
Compound Name: | 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 492.37 |
Molecular Formula: | C25 H22 Br N3 O3 |
Smiles: | Cc1cc(C)cc(c1)N1C(C(=C/c2cc(C)n(c3ccc(cc3)[Br])c2C)\C(NC1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0018 |
logD: | 4.9987 |
logSw: | -4.706 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.056 |
InChI Key: | JVIAXVQLNLMPNS-UHFFFAOYSA-N |