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24609-75-4

24609-75-4 | 1H-Naphth[1,2-e][1,3]oxazine, 3-(4-bromophenyl)-2,3-dihydro-1-phenyl-, (1R,3R)-rel-

CAS No: 24609-75-4 Catalog No: AG002OQV MDL No:

Product Description

Catalog Number:
AG002OQV
Chemical Name:
1H-Naphth[1,2-e][1,3]oxazine, 3-(4-bromophenyl)-2,3-dihydro-1-phenyl-, (1R,3R)-rel-
CAS Number:
24609-75-4
Molecular Formula:
C24H18BrNO
Molecular Weight:
416.3098
IUPAC Name:
3-(4-bromophenyl)-1-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
InChI:
InChI=1S/C24H18BrNO/c25-19-13-10-18(11-14-19)24-26-23(17-7-2-1-3-8-17)22-20-9-5-4-6-16(20)12-15-21(22)27-24/h1-15,23-24,26H
InChI Key:
IRGYIDPXYHPMEG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)[C@H]1Oc2ccc3c(c2[C@H](N1)c1ccccc1)cccc3
NSC Number:
135845

Properties

Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.057g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
416.318g/mol
Monoisotopic Mass:
415.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

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