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827310-30-5 | 2(1H)-Isoquinolinecarbothioamide, N-(diphenylmethyl)-3,4-dihydro-
CAS No: 827310-30-5 Catalog No: AG008JBG MDL No:
Product Description
Catalog Number:
AG008JBG
Chemical Name:
2(1H)-Isoquinolinecarbothioamide, N-(diphenylmethyl)-3,4-dihydro-
CAS Number:
827310-30-5
Molecular Formula:
C23H22N2S
Molecular Weight:
358.4992
IUPAC Name:
N-benzhydryl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
InChI:
InChI=1S/C23H22N2S/c26-23(25-16-15-18-9-7-8-14-21(18)17-25)24-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,24,26)
InChI Key:
PCKVTHWBTUTYBM-UHFFFAOYSA-N
SMILES:
S=C(N1CCc2c(C1)cccc2)NC(c1ccccc1)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.15g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.503g/mol
Monoisotopic Mass:
358.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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