CID 44735597
PubChem CID
44735597
Structure
Molecular Formula
Status
Non-live
Molecular Weight
530.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[(2,3-dimethoxyphenyl)methyl]-2-(6-phenoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C30H34N4O5/c1-37-25-10-6-7-21(27(25)38-2)17-33-28(35)24-19-34(20-30(24)13-15-31-16-14-30)29(36)22-11-12-26(32-18-22)39-23-8-4-3-5-9-23/h3-12,18,24,31H,13-17,19-20H2,1-2H3,(H,33,35)
VUYBBKGWYFZVBG-UHFFFAOYSA-N
COC1=CC=CC(=C1OC)CNC(=O)C2CN(CC23CCNCC3)C(=O)C4=CN=C(C=C4)OC5=CC=CC=C5
C30H34N4O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
530.6 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
530.25292020 g/mol
Property Name
Monoisotopic Mass
Property Value
530.25292020 g/mol
Property Name
Topological Polar Surface Area
Property Value
102 A^2
Property Name
Heavy Atom Count
Property Value
39
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
815
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
1
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
CONTENTS