
 MLS000830374

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M  END

>  <Chemical Name>
MLS000830374

>  <PubChem CID>
135693566

>  <Formula>
C24H26F3N3O3

>  <Molecular Weight>
461.485000

>  <IUPAC Name>
methyl (6S)-3-benzyl-2-(2-methoxyethylimino)-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(NC(=NCCOC)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC

>  <Isomeric SMILES>
CC1=C([C@@H](NC(=NCCOC)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C24H26F3N3O3/c1-16-20(22(31)33-3)21(18-10-7-11-19(14-18)24(25,26)27)29-23(28-12-13-32-2)30(16)15-17-8-5-4-6-9-17/h4-11,14,21H,12-13,15H2,1-3H3,(H,28,29)/t21-/m0/s1

>  <InChI Key>
AZIFWENGHFPMIR-NRFANRHFSA-N

