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Home > Indoles and Oxindole > 208-59-3
208-59-3 | 1H-Naphtho[2',3':4,5]thieno[3,2-b]pyrido[3,2,1-hi]indole (8CI,9CI)
CAS No: 208-59-3 Catalog No: AG002JFV MDL No:
Product Description
Catalog Number:
AG002JFV
Chemical Name:
1H-Naphtho[2',3':4,5]thieno[3,2-b]pyrido[3,2,1-hi]indole (8CI,9CI)
CAS Number:
208-59-3
Molecular Formula:
C21H13NS
Molecular Weight:
311.3996
IUPAC Name:
13-thia-1-azahexacyclo[13.7.1.02,14.03,12.05,10.019,23]tricosa-2(14),3,5,7,9,11,15,17,19(23),20-decaene
InChI:
InChI=1S/C21H13NS/c1-2-6-15-12-18-17(11-14(15)5-1)20-21(23-18)16-9-3-7-13-8-4-10-22(20)19(13)16/h1-9,11-12H,10H2
InChI Key:
BOFYCNKWWKXRAK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)c2c(s1)c1c3n2CC=Cc3ccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.402g/mol
Monoisotopic Mass:
311.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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