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87443-96-7 | Benzamide,N-[3-[[(4-bromophenyl)amino]methyl]-3-chloro-2-oxo-4-phenyl-1-azetidinyl]-2-hydroxy-
CAS No: 87443-96-7 Catalog No: AG004FUS MDL No:
Product Description
Catalog Number:
AG004FUS
Chemical Name:
Benzamide,N-[3-[[(4-bromophenyl)amino]methyl]-3-chloro-2-oxo-4-phenyl-1-azetidinyl]-2-hydroxy-
CAS Number:
87443-96-7
Molecular Formula:
C23H19BrClN3O3
Molecular Weight:
500.7723
IUPAC Name:
N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-phenylazetidin-1-yl]-2-hydroxybenzamide
InChI:
InChI=1S/C23H19BrClN3O3/c24-16-10-12-17(13-11-16)26-14-23(25)20(15-6-2-1-3-7-15)28(22(23)31)27-21(30)18-8-4-5-9-19(18)29/h1-13,20,26,29H,14H2,(H,27,30)
InChI Key:
JJXVFSHJGDLZHA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NCC1(Cl)C(=O)N(C1c1ccccc1)NC(=O)c1ccccc1O
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.03g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
500.777g/mol
Monoisotopic Mass:
499.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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