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1160169-99-2 | 5-chloro-N-(((5S)-3-(4-(2-hydroxy-3-oxomorpholino)phenyl)-2-oxooxazolidin-5-yl)methyl)thiophene-2-carboxamide
CAS No: 1160169-99-2 Catalog No: AG01DGL0 MDL No:
Product Description
Catalog Number:
AG01DGL0
Chemical Name:
5-chloro-N-(((5S)-3-(4-(2-hydroxy-3-oxomorpholino)phenyl)-2-oxooxazolidin-5-yl)methyl)thiophene-2-carboxamide
CAS Number:
1160169-99-2
Molecular Formula:
C19H18ClN3O6S
Molecular Weight:
451.8807
IUPAC Name:
5-chloro-N-[[(5S)-3-[4-(2-hydroxy-3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
InChI:
InChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)16(24)21-9-13-10-23(19(27)29-13)12-3-1-11(2-4-12)22-7-8-28-18(26)17(22)25/h1-6,13,18,26H,7-10H2,(H,21,24)/t13-,18?/m0/s1
InChI Key:
QKCBGSBQSJXLBO-FVRDMJKUSA-N
SMILES:
OC1OCCN(C1=O)c1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)c1ccc(s1)Cl
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
451.06g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
451.878g/mol
Monoisotopic Mass:
451.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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