5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0112 |
| Compound Name: | 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C24 H20 F N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.0128 |
| logD: | 3.907 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | GIIFPYPOEZBSON-UHFFFAOYSA-N |