4-[(2-fluorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(2-fluorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
4-[(2-fluorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | C307-0096 |
Compound Name: | 4-[(2-fluorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 442.49 |
Molecular Formula: | C27 H23 F N2 O3 |
Smiles: | C1CCN(C1)C(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.7797 |
logD: | 4.7797 |
logSw: | -4.8015 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.047 |
InChI Key: | SCQWTPMMTDGROB-UHFFFAOYSA-N |