5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0113 |
| Compound Name: | 5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C24 H20 F N3 O2 S |
| Smiles: | Cc1ccccc1N1C(C(=C\c2cc(C)n(c3ccc(cc3)F)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0175 |
| logD: | 3.727 |
| logSw: | -4.1325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.592 |
| InChI Key: | DMECKYNXOWGIBZ-UHFFFAOYSA-N |