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88961-14-2 | 2-Thiophenecarboxamide, 5-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]-
CAS No: 88961-14-2 Catalog No: AG0046JC MDL No:
Product Description
Catalog Number:
AG0046JC
Chemical Name:
2-Thiophenecarboxamide, 5-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]-
CAS Number:
88961-14-2
Molecular Formula:
C16H20N2O2S
Molecular Weight:
304.4072
IUPAC Name:
5-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]thiophene-2-carboxamide
InChI:
InChI=1S/C16H20N2O2S/c17-16(20)15-9-8-13(21-15)7-4-10-18-11-14(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,14,18-19H,4,7,10-11H2,(H2,17,20)
InChI Key:
BEBICSDQDUMEHV-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CNCCCc1ccc(s1)C(=O)N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.408g/mol
Monoisotopic Mass:
304.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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