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81822-80-2 | Acetamide, N-[4-[3-(1-cyclohexyl-1H-tetrazol-5-yl)propoxy]phenyl]-
CAS No: 81822-80-2 Catalog No: AG005HU8 MDL No:
Product Description
Catalog Number:
AG005HU8
Chemical Name:
Acetamide, N-[4-[3-(1-cyclohexyl-1H-tetrazol-5-yl)propoxy]phenyl]-
CAS Number:
81822-80-2
Molecular Formula:
C18H25N5O2
Molecular Weight:
343.4234
IUPAC Name:
N-[4-[3-(1-cyclohexyltetrazol-5-yl)propoxy]phenyl]acetamide
InChI:
InChI=1S/C18H25N5O2/c1-14(24)19-15-9-11-17(12-10-15)25-13-5-8-18-20-21-22-23(18)16-6-3-2-4-7-16/h9-12,16H,2-8,13H2,1H3,(H,19,24)
InChI Key:
ZKUOIYNTYGWLRT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)OCCCc1nnnn1C1CCCCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.201g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.431g/mol
Monoisotopic Mass:
343.201g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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