CID 45941613
PubChem CID
45941613
Structure
Molecular Formula
Status
Non-live
Molecular Weight
472.6 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
InChI=1S/C25H32N2O5S/c1-18(2)11-24(28)27(14-20-5-3-9-30-20)16-25(29)26(15-21-6-4-10-33-21)13-19-7-8-22-23(12-19)32-17-31-22/h4,6-8,10,12,18,20H,3,5,9,11,13-17H2,1-2H3
QUVAQNJAOZZTSD-UHFFFAOYSA-N
CC(C)CC(=O)N(CC1CCCO1)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4
C25H32N2O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
472.6 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
472.20319330 g/mol
Property Name
Monoisotopic Mass
Property Value
472.20319330 g/mol
Property Name
Topological Polar Surface Area
Property Value
96.6 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
663
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
Old substance
Old substance
Old substance
CONTENTS