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76098-98-1 | 4,5-Dihydro-1-(1-methylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)ben zimidazole
CAS No: 76098-98-1 Catalog No: AG00GPK3 MDL No:
Product Description
Catalog Number:
AG00GPK3
Chemical Name:
4,5-Dihydro-1-(1-methylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)ben zimidazole
CAS Number:
76098-98-1
IUPAC Name:
1-propan-2-yl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
InChI:
InChI=1S/C14H16N2O2/c1-9(2)14-13-15-11-5-3-4-6-12(11)16(13)7-10(18-14)8-17-14/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
WLJKVKOOUBZWQD-UHFFFAOYSA-N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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