1-(4-ethylphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-ethylphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-ethylphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-0782 |
| Compound Name: | 1-(4-ethylphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C25 H22 F N3 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2cc(C)n(c3ccc(cc3)F)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.52 |
| logD: | 4.4143 |
| logSw: | -4.2521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | YHCIYZSIMIQKNP-UHFFFAOYSA-N |