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76099-03-1 | 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(2-t hienyl)-
CAS No: 76099-03-1 Catalog No: AG00GOX7 MDL No:
Product Description
Catalog Number:
AG00GOX7
Chemical Name:
1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(2-t hienyl)-
CAS Number:
76099-03-1
IUPAC Name:
1-thiophen-2-yl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
InChI:
InChI=1S/C15H12N2O2S/c1-2-5-12-11(4-1)16-14-15(13-6-3-7-20-13)18-9-10(19-15)8-17(12)14/h1-7,10H,8-9H2
InChI Key:
XFQDQISQBJOTLM-UHFFFAOYSA-N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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