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319-19-7 | 12H-[1]Benzothieno[2',3':4,5]pyrrolo[2,3-f]quinoline
CAS No: 319-19-7 Catalog No: AG007I4Q MDL No:
Product Description
Catalog Number:
AG007I4Q
Chemical Name:
12H-[1]Benzothieno[2',3':4,5]pyrrolo[2,3-f]quinoline
CAS Number:
319-19-7
Molecular Formula:
C17H10N2S
Molecular Weight:
274.3397
IUPAC Name:
3-thia-11,17-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(20),2(10),4,6,8,11,13,15,18-nonaene
InChI:
InChI=1S/C17H10N2S/c1-2-6-14-11(4-1)16-17(20-14)12-7-8-13-10(15(12)19-16)5-3-9-18-13/h1-9,18H
InChI Key:
XHWKSVFMIDKSHF-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)c1[nH]c3c(c1cc2)sc1c3cccc1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.341g/mol
Monoisotopic Mass:
274.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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