methyl [1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate
methyl [1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate
Compound characteristics
| Compound ID: | Y020-7102 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C19 H12 F N3 O3 S2 |
| Smiles: | COC(\C=C1/C(N(C(N1c1ccc(cc1)F)=S)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5276 |
| logD: | 3.5276 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.039 |
| InChI Key: | AOQVWXKPAKLJGI-UHFFFAOYSA-N |