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85547-56-4 | 4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate
CAS No: 85547-56-4 Catalog No: AG004R2T MDL No:MFCD08457544
Product Description
Catalog Number:
AG004R2T
Chemical Name:
4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate
CAS Number:
85547-56-4
Molecular Formula:
C29H35Cl2N6O4P
Molecular Weight:
633.5058
MDL Number:
MFCD08457544
IUPAC Name:
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid
InChI:
InChI=1S/C29H32Cl2N6.H3O4P/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;1-5(2,3)4/h2-9,20-21H,1,10-19H2;(H3,1,2,3,4)
InChI Key:
KATNPMSTHHZOTK-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
632.183g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
633.511g/mol
Monoisotopic Mass:
632.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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