
 NSC-309874

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M  END

>  <Chemical Name>
NSC-309874

>  <PubChem CID>
3246616

>  <Formula>
C26H23ClN2OS

>  <Molecular Weight>
446.993000

>  <IUPAC Name>
3-chloro-N-[2-[[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-1-benzothiophene-2-carboxamide

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2C1CC3=CC=CC=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2[C@@H]1CC3=CC=CC=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl

>  <InChI Std. ID>
InChI=1S/C26H23ClN2OS/c1-29-15-14-17-8-2-4-10-19(17)22(29)16-18-9-3-6-12-21(18)28-26(30)25-24(27)20-11-5-7-13-23(20)31-25/h2-13,22H,14-16H2,1H3,(H,28,30)/t22-/m0/s1

>  <InChI Key>
ACKAQJBYLPLIOW-QFIPXVFZSA-N

