CID 44899261
PubChem CID
44899261
Structure
Molecular Formula
Status
Non-live
Molecular Weight
486.6 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
2-oxo-N-(pyridin-3-ylmethyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetamide
InChI=1S/C24H30N4O5S/c1-17-13-18(2)21(19(3)14-17)34(31,32)28-11-12-33-24(28)6-9-27(10-7-24)23(30)22(29)26-16-20-5-4-8-25-15-20/h4-5,8,13-15H,6-7,9-12,16H2,1-3H3,(H,26,29)
NYRHRQLGGUTTNK-UHFFFAOYSA-N
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C(=O)NCC4=CN=CC=C4)C
C24H30N4O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
486.6 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
486.19369124 g/mol
Property Name
Monoisotopic Mass
Property Value
486.19369124 g/mol
Property Name
Topological Polar Surface Area
Property Value
117 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
840
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
CONTENTS