AN019; AN 019; NRC-AN-019

1. Names and Identifiers

1.2 Synonyms: AN 019; AN019; Benzamide, N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3,5-bis(trifluoromethyl)-; N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide; NRC-AN-019;

1.6 Inchi: InChI=1S/C25H17F6N5O/c1-14-4-5-19(12-21(14)36-23-33-8-6-20(35-23)15-3-2-7-32-13-15)34-22(37)16-9-17(24(26,27)28)11-18(10-16)25(29,30)31/h2-13H,1H3,(H,34,37)(H,33,35,36)

1.8 Canonical Smiles: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC3=NC=CC(=N3)C4=CN=CC=C4

1.9 Isomers Smiles: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC3=NC=CC(=N3)C4=CN=CC=C4

2. Computed Properties

Molecular Weight：517.4g/mol
Molecular Formula：C₂₅H₁₇F₆N₅O
Compound Is Canonicalized：True
Exact Mass：5.6
XLogP3-AA：517.13372916
Monoisotopic Mass：517.13372916
Complexity：743
Rotatable Bond Count：5
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：11
Topological Polar Surface Area：79.8
Heavy Atom Count：：37
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7ocAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwAQAAAADAjBnhQ/0JbIEACoAzV3dACCgCk1AqAJ2CE4ZNiIKPLA3dGEJQholALIyacYiECOCAACAAQCAAAQAAQACAQAAAAAAAAAAA==

3. Toltal 2 Suppliers View more

Shanghai Haoyuan Chemexpress Co., Ltd

Tel: Update Time:2019/02/25

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TargetMol Chemicals Inc.

Tel: Update Time:2022/01/01

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4. Realated Product Infomation

1. Names and Identifiers