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827310-31-6 | 2(1H)-Isoquinolinecarbothioamide, N-(2,2-diphenylethyl)-3,4-dihydro-
CAS No: 827310-31-6 Catalog No: AG008JBF MDL No:
Product Description
Catalog Number:
AG008JBF
Chemical Name:
2(1H)-Isoquinolinecarbothioamide, N-(2,2-diphenylethyl)-3,4-dihydro-
CAS Number:
827310-31-6
Molecular Formula:
C24H24N2S
Molecular Weight:
372.5258
IUPAC Name:
N-(2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
InChI:
InChI=1S/C24H24N2S/c27-24(26-16-15-19-9-7-8-14-22(19)18-26)25-17-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23H,15-18H2,(H,25,27)
InChI Key:
IDWIIXLEYKWHRU-UHFFFAOYSA-N
SMILES:
S=C(N1CCc2c(C1)cccc2)NCC(c1ccccc1)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.166g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.53g/mol
Monoisotopic Mass:
372.166g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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