(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one

(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one

CAS: 302781-98-2

Formula: C24H22FNO3

SMILES: O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=CC=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1

IUPAC: (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one

InChI: InChI=1S/C24H22FNO3/c25-18-10-6-16(7-11-18)22(28)15-14-21-23(17-8-12-20(27)13-9-17)26(24(21)29)19-4-2-1-3-5-19/h1-13,21-23,27-28H,14-15H2/t21-,22+,23-/m1/s1

Composition: C (73.64%), H (5.67%), F (4.85%), N (3.58%), O (12.26%)

Molar Mass: 391.442

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	3
Exact Mass	391.158371735
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YWZUFJFIXFJKBD-XPWALMASSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.65
Topological Polar Surface Area	60.77
Polarizability	41.9
Ring Count	4
Rotatable Bond Count	6

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