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10155-48-3 | 2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-[3-(4-morpholinyl)propyl]-
CAS No: 10155-48-3 Catalog No: AG0004S1 MDL No:
Product Description
Catalog Number:
AG0004S1
Chemical Name:
2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-[3-(4-morpholinyl)propyl]-
CAS Number:
10155-48-3
Molecular Formula:
C18H21BrN2O3
Molecular Weight:
393.2749
IUPAC Name:
7-bromo-3-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
InChI:
InChI=1S/C18H21BrN2O3/c19-15-3-2-13-12-17(22)16(11-14(13)10-15)18(23)20-4-1-5-21-6-8-24-9-7-21/h2-3,10-12,22H,1,4-9H2,(H,20,23)
InChI Key:
PVZXJTNWDZNFJH-UHFFFAOYSA-N
SMILES:
O=C(c1cc2cc(Br)ccc2cc1O)NCCCN1CCOCC1
EC Number:
233-427-8
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.281g/mol
Monoisotopic Mass:
392.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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