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159852-74-1 | 11H-Thieno[3',2':4,5]pyrimido[2,1-b]benzoxazol-11-one
CAS No: 159852-74-1 Catalog No: AG001RGA MDL No:
Product Description
Catalog Number:
AG001RGA
Chemical Name:
11H-Thieno[3',2':4,5]pyrimido[2,1-b]benzoxazol-11-one
CAS Number:
159852-74-1
Molecular Formula:
C12H6N2O2S
Molecular Weight:
242.2532
IUPAC Name:
8-oxa-14-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
InChI:
InChI=1S/C12H6N2O2S/c15-11-10-7(5-6-17-10)13-12-14(11)8-3-1-2-4-9(8)16-12/h1-6H
InChI Key:
XMDPYFQMJZZLBA-UHFFFAOYSA-N
SMILES:
O=c1n2c(nc3c1scc3)oc1c2cccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.252g/mol
Monoisotopic Mass:
242.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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