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143770-38-1 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-4-phenanthrenyl-
CAS No: 143770-38-1 Catalog No: AG001IBS MDL No:
Product Description
Catalog Number:
AG001IBS
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-4-phenanthrenyl-
CAS Number:
143770-38-1
Molecular Formula:
C23H14ClNOS
Molecular Weight:
387.8814
IUPAC Name:
3-chloro-N-phenanthren-4-yl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C23H14ClNOS/c24-21-17-9-3-4-11-19(17)27-22(21)23(26)25-18-10-5-7-15-13-12-14-6-1-2-8-16(14)20(15)18/h1-13H,(H,25,26)
InChI Key:
DVXRQFIAVPYYFP-UHFFFAOYSA-N
SMILES:
O=C(c1sc2c(c1Cl)cccc2)Nc1cccc2c1c1ccccc1cc2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.048g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.881g/mol
Monoisotopic Mass:
387.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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