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N-(3-{4'-hydroxy-4-oxo-3H-spiro[1,3-benzoxazine-2,1'-cyclohexan]-7-yl}-4-methylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

N-(3-{4'-hydroxy-4-oxo-3H-spiro[1,3-benzoxazine-2,1'-cyclohexan]-7-yl}-4-methylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

CAS: 2763396-69-4

Formula: C27H24F3N3O4

SMILES: CC1=CC=C(NC(=O)C2=CC=NC(=C2)C(F)(F)F)C=C1C1=CC=C2C(=O)NC3(CCC(O)CC3)OC2=C1

IUPAC: N-(3-{4'-hydroxy-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,1'-cyclohexan]-7-yl}-4-methylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

InChI: InChI=1S/C27H24F3N3O4/c1-15-2-4-18(32-24(35)17-8-11-31-23(13-17)27(28,29)30)14-21(15)16-3-5-20-22(12-16)37-26(33-25(20)36)9-6-19(34)7-10-26/h2-5,8,11-14,19,34H,6-7,9-10H2,1H3,(H,32,35)(H,33,36)

Composition: C (63.40%), H (4.73%), F (11.14%), N (8.22%), O (12.51%)

Molar Mass: 511.501

Atom Count: 61

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 511.171890754
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey KWLWFTOJCQIAKI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 131.76
Topological Polar Surface Area 100.55
Polarizability 49.49
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2763396-69-4 $572.70-$1,932.00$572.70$917.70$1,932.00
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