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101517-14-0 | Heptanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-[(1-methylethyl)thio]-
CAS No: 101517-14-0 Catalog No: AG0004OP MDL No:
Product Description
Catalog Number:
AG0004OP
Chemical Name:
Heptanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-[(1-methylethyl)thio]-
CAS Number:
101517-14-0
Molecular Formula:
C18H29NO3S
Molecular Weight:
339.4928
IUPAC Name:
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanethioamide
InChI:
InChI=1S/C18H29NO2S/c1-14(2)8-6-4-5-7-9-18(22)19-13-15-10-11-16(20)17(12-15)21-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,22)
InChI Key:
JTPULDVZNLHUHK-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)CCCCCCSC(C)C)ccc1O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.192g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.495g/mol
Monoisotopic Mass:
323.192g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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