CID 52373938
PubChem CID
52373938
Structure
Molecular Formula
Status
Non-live
Molecular Weight
372.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]oxyphenyl]-methylsulfonylazanide
InChI=1S/C18H18N3O4S/c1-13-11-12-21(19-13)16-7-3-14(4-8-16)18(22)25-17-9-5-15(6-10-17)20-26(2,23)24/h3-10H,11-12H2,1-2H3/q-1
TUZJCQOLPBKUPL-UHFFFAOYSA-N
CC1=NN(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N-]S(=O)(=O)C
C18H18N3O4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
372.4 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
372.10180224 g/mol
Property Name
Monoisotopic Mass
Property Value
372.10180224 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.4 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
627
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
CONTENTS