5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4490-1260 |
| Compound Name: | 5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C27 H26 F N3 O3 |
| Smiles: | Cc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)c(C)n1c1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.9562 |
| logD: | 4.876 |
| logSw: | -4.6776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.056 |
| InChI Key: | JKHUHHXAOOGJBD-UHFFFAOYSA-N |