1-[(cyclohexylideneamino)oxy]-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Chemical Structure Depiction of
1-[(cyclohexylideneamino)oxy]-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
1-[(cyclohexylideneamino)oxy]-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Compound characteristics
| Compound ID: | C071-0468 |
| Compound Name: | 1-[(cyclohexylideneamino)oxy]-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one |
| Molecular Weight: | 499.51 |
| Molecular Formula: | C22 H24 F3 N3 O5 S |
| Smiles: | COc1ccccc1c1cc(C(F)(F)F)nc(n1)S(CCCC(=O)ON=C1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4223 |
| logD: | 3.4223 |
| logSw: | -3.8941 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.41 |
| InChI Key: | VLSLMYNTMWIAQE-UHFFFAOYSA-N |