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131184-64-0 | 2-Propanol, 1-[[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-piperidinyl]amino]-3-(1-naphthalenyloxy)-, [R-(R*,R*)]- (9CI)
CAS No: 131184-64-0 Catalog No: AG000VO4 MDL No:
Product Description
Catalog Number:
AG000VO4
Chemical Name:
2-Propanol, 1-[[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-piperidinyl]amino]-3-(1-naphthalenyloxy)-, [R-(R*,R*)]- (9CI)
CAS Number:
131184-64-0
Molecular Formula:
C27H32N2O4
Molecular Weight:
448.5540
IUPAC Name:
1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
InChI:
InChI=1S/C27H32N2O4/c30-22(18-31-25-11-5-7-20-6-1-2-8-24(20)25)16-28-21-12-14-29(15-13-21)17-23-19-32-26-9-3-4-10-27(26)33-23/h1-11,21-23,28,30H,12-19H2
InChI Key:
HOEMMUQEOHEDHC-UHFFFAOYSA-N
SMILES:
OC(COc1cccc2c1cccc2)CNC1CCN(CC1)CC1COc2c(O1)cccc2
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.236g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.563g/mol
Monoisotopic Mass:
448.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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