CID 45959193
PubChem CID
45959193
Structure
Molecular Formula
Status
Non-live
Molecular Weight
470.6 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
(4-tert-butylphenyl)-[4-[6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]methanone
InChI=1S/C30H38N4O/c1-20(2)26-22(4)31-27(23-10-8-21(3)9-11-23)32-28(26)33-16-18-34(19-17-33)29(35)24-12-14-25(15-13-24)30(5,6)7/h8-15,20H,16-19H2,1-7H3
SRNHKVVBSPWPPL-UHFFFAOYSA-N
CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)C(C)C)C
C30H38N4O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
470.6 g/mol
Property Name
XLogP3-AA
Property Value
6.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
470.30456185 g/mol
Property Name
Monoisotopic Mass
Property Value
470.30456185 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.3 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
679
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS