methyl 2-{[(1-chlorobutylidene)amino]oxy}-3,3,3-trifluoro-N-[(3-fluorophenyl)carbamoyl]alaninate
Chemical Structure Depiction of
methyl 2-{[(1-chlorobutylidene)amino]oxy}-3,3,3-trifluoro-N-[(3-fluorophenyl)carbamoyl]alaninate
methyl 2-{[(1-chlorobutylidene)amino]oxy}-3,3,3-trifluoro-N-[(3-fluorophenyl)carbamoyl]alaninate
Compound characteristics
| Compound ID: | 8019-0897 |
| Compound Name: | methyl 2-{[(1-chlorobutylidene)amino]oxy}-3,3,3-trifluoro-N-[(3-fluorophenyl)carbamoyl]alaninate |
| Molecular Weight: | 413.75 |
| Molecular Formula: | C15 H16 Cl F4 N3 O4 |
| Smiles: | CCC\C(=N/OC(C(=O)OC)(C(F)(F)F)NC(Nc1cccc(c1)F)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3503 |
| logD: | 4.1755 |
| logSw: | -4.5754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.321 |
| InChI Key: | ZZQPWGNQUKBVJW-CQSZACIVSA-N |