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14397-37-6 | Acetamide, N-methyl-N-[2-(3,4,6,7-tetramethoxy-1-phenanthrenyl)ethyl]-
CAS No: 14397-37-6 Catalog No: AG001IOP MDL No:
Product Description
Catalog Number:
AG001IOP
Chemical Name:
Acetamide, N-methyl-N-[2-(3,4,6,7-tetramethoxy-1-phenanthrenyl)ethyl]-
CAS Number:
14397-37-6
Molecular Formula:
C23H27NO5
Molecular Weight:
397.4642
IUPAC Name:
N-methyl-N-[2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethyl]acetamide
InChI:
InChI=1S/C23H27NO5/c1-14(25)24(2)10-9-16-12-21(28-5)23(29-6)22-17(16)8-7-15-11-19(26-3)20(27-4)13-18(15)22/h7-8,11-13H,9-10H2,1-6H3
InChI Key:
VTQDNZHJQZJTAE-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)ccc1c2c(OC)c(OC)cc1CCN(C(=O)C)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.471g/mol
Monoisotopic Mass:
397.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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