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76099-30-4 | 1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phe nyl-
CAS No: 76099-30-4 Catalog No: AG00GOWY MDL No:
Product Description
Catalog Number:
AG00GOWY
Chemical Name:
1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phe nyl-
CAS Number:
76099-30-4
IUPAC Name:
1-phenyl-15-oxa-14-thia-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
InChI:
InChI=1S/C17H14N2OS/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(20-17)11-21-17/h1-9,13H,10-11H2
InChI Key:
DAGJUBHDLVLDKE-UHFFFAOYSA-N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.372g/mol
Monoisotopic Mass:
294.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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