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114549-99-4 | Glycine, N-[(2-chlorophenyl)methyl]-N-[2-(2-thienyl)ethyl]-
CAS No: 114549-99-4 Catalog No: AG000EOG MDL No:
Product Description
Catalog Number:
AG000EOG
Chemical Name:
Glycine, N-[(2-chlorophenyl)methyl]-N-[2-(2-thienyl)ethyl]-
CAS Number:
114549-99-4
Molecular Formula:
C15H16ClNO2S
Molecular Weight:
309.8110
IUPAC Name:
2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid
InChI:
InChI=1S/C15H16ClNO2S/c16-14-6-2-1-4-12(14)10-17(11-15(18)19)8-7-13-5-3-9-20-13/h1-6,9H,7-8,10-11H2,(H,18,19)
InChI Key:
FUEVGCLMCDQOQZ-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1ccccc1Cl)CCc1cccs1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.808g/mol
Monoisotopic Mass:
309.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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