1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl acetate

1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl acetate

CAS: 190448-46-5

Formula: C26H23F2NO4

SMILES: CC(=O)OC(CCC1C(N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1

IUPAC: 1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl acetate

InChI: InChI=1/C26H23F2NO4/c1-16(30)33-24(17-2-6-19(27)7-3-17)15-14-23-25(18-4-12-22(31)13-5-18)29(26(23)32)21-10-8-20(28)9-11-21/h2-13,23-25,31H,14-15H2,1H3

Composition: C (69.17%), H (5.14%), F (8.42%), N (3.10%), O (14.18%)

Molar Mass: 451.47

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	3
Exact Mass	451.159514551
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HFQRXXWTCQBULQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	118.01
Topological Polar Surface Area	66.84
Polarizability	45.43
Ring Count	4
Rotatable Bond Count	8

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