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834912-25-3 | Benzene, 1-azido-4-[(1Z)-1,2-diphenyl-1-octenyl]-
CAS No: 834912-25-3 Catalog No: AG00507I MDL No:
Product Description
Catalog Number:
AG00507I
Chemical Name:
Benzene, 1-azido-4-[(1Z)-1,2-diphenyl-1-octenyl]-
CAS Number:
834912-25-3
Molecular Formula:
C26H27N3
Molecular Weight:
381.5127
IUPAC Name:
1-azido-4-(1,2-diphenyloct-1-enyl)benzene
InChI:
InChI=1S/C26H27N3/c1-2-3-4-11-16-25(21-12-7-5-8-13-21)26(22-14-9-6-10-15-22)23-17-19-24(20-18-23)28-29-27/h5-10,12-15,17-20H,2-4,11,16H2,1H3
InChI Key:
HWZZULRTBCKGRB-UHFFFAOYSA-N
SMILES:
CCCCCC/C(=C(/c1ccc(cc1)N=[N+]=[N-])\c1ccccc1)/c1ccccc1
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.22g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.523g/mol
Monoisotopic Mass:
381.22g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
10.2
Literature
| Title | Journal |
|---|---|
| Design and synthesis of (Z)-1,2-diphenyl-1-(4-methanesulfonamidophenyl)alk-1-enes and (Z)-1-(4-azidophenyl)-1,2-diphenylalk-1-enes: novel inhibitors of cyclooxygenase-2 (COX-2) with anti-inflammatory and analgesic activity. | Bioorganic & medicinal chemistry 20050117 |
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