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124392-83-2 | 2H-[1]Benzoxepino[5,4-c]pyrazole, 4,5-dihydro-8,9-dimethyl-3-phenyl-
CAS No: 124392-83-2 Catalog No: AG000LXO MDL No:
Product Description
Catalog Number:
AG000LXO
Chemical Name:
2H-[1]Benzoxepino[5,4-c]pyrazole, 4,5-dihydro-8,9-dimethyl-3-phenyl-
CAS Number:
124392-83-2
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
8,9-dimethyl-3-phenyl-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole
InChI:
InChI=1S/C19H18N2O/c1-12-10-16-17(11-13(12)2)22-9-8-15-18(20-21-19(15)16)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)
InChI Key:
WMMDTFLRSMNFAH-UHFFFAOYSA-N
SMILES:
Cc1cc2OCCc3c(c2cc1C)n[nH]c3c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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