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89473-78-9 | 1H-Azepine-1-acetamide, hexahydro-N-2-naphthalenyl-
CAS No: 89473-78-9 Catalog No: AG0043DL MDL No:
Product Description
Catalog Number:
AG0043DL
Chemical Name:
1H-Azepine-1-acetamide, hexahydro-N-2-naphthalenyl-
CAS Number:
89473-78-9
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
IUPAC Name:
2-(azepan-1-yl)-N-naphthalen-2-ylacetamide
InChI:
InChI=1S/C18H22N2O/c21-18(14-20-11-5-1-2-6-12-20)19-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,19,21)
InChI Key:
VHMLDGHBKXQASL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)cccc2)CN1CCCCCC1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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