CID 51218238
PubChem CID
51218238
Structure
Molecular Formula
Status
Non-live
Molecular Weight
385.4 g/mol
Dates
- Create:2011-05-03
Chemical Structure Depiction
2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide
InChI=1S/C18H19N5O3S/c1-3-23-16(14-9-6-10-26-14)21-22-18(23)27-11-15(24)20-13-8-5-4-7-12(13)17(25)19-2/h4-10H,3,11H2,1-2H3,(H,19,25)(H,20,24)
WEGHYHYEWFCYNT-UHFFFAOYSA-N
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC)C3=CC=CO3
C18H19N5O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
385.4 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
385.12086066 g/mol
Property Name
Monoisotopic Mass
Property Value
385.12086066 g/mol
Property Name
Topological Polar Surface Area
Property Value
127 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
523
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
CONTENTS