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1151893-81-0 | (S)-2-(2-(5-chloro-N-(4-(5-((5-chlorothiophene-2-carboxamido)methyl)-2-oxooxazolidin-3-yl)phenyl)thiophene-2-carboxamido)ethoxy)acetic acid
CAS No: 1151893-81-0 Catalog No: AG009458 MDL No:
Product Description
Catalog Number:
AG009458
Chemical Name:
(S)-2-(2-(5-chloro-N-(4-(5-((5-chlorothiophene-2-carboxamido)methyl)-2-oxooxazolidin-3-yl)phenyl)thiophene-2-carboxamido)ethoxy)acetic acid
CAS Number:
1151893-81-0
Molecular Formula:
C24H21Cl2N3O7S2
Molecular Weight:
598.4754
IUPAC Name:
2-[2-[N-(5-chlorothiophene-2-carbonyl)-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid
InChI:
InChI=1S/C24H21Cl2N3O7S2/c25-19-7-5-17(37-19)22(32)27-11-16-12-29(24(34)36-16)15-3-1-14(2-4-15)28(9-10-35-13-21(30)31)23(33)18-6-8-20(26)38-18/h1-8,16H,9-13H2,(H,27,32)(H,30,31)/t16-/m0/s1
InChI Key:
XEOFNNZMYBBFPT-INIZCTEOSA-N
SMILES:
OC(=O)COCCN(C(=O)c1ccc(s1)Cl)c1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)c1ccc(s1)Cl
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
597.02g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
598.466g/mol
Monoisotopic Mass:
597.02g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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