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(2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide

(2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide

CAS: 1296129-15-1

Formula: C24H21F2NO3

SMILES: OC1=CC=C(C=C1)[C@@H]1O[C@@H](CC[C@H]1C(=O)NC1=CC=C(F)C=C1)C1=CC=C(F)C=C1

IUPAC: (2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide

InChI: InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22-14-13-21(23(30-22)16-3-11-20(28)12-4-16)24(29)27-19-9-7-18(26)8-10-19/h1-12,21-23,28H,13-14H2,(H,27,29)/t21-,22+,23+/m1/s1

Composition: C (70.41%), H (5.17%), F (9.28%), N (3.42%), O (11.72%)

Molar Mass: 409.433

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 409.148949866
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IBDXWUJVRNPFPE-VJBWXMMDSA-N
Lipinski's Rule of Five
Molar Refractivity 110.5
Topological Polar Surface Area 58.56
Polarizability 41.66
Ring Count 4
Rotatable Bond Count 4

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