CID 33018480
PubChem CID
33018480
Structure
Molecular Formula
Status
Non-live
Molecular Weight
373.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
methyl 5-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
InChI=1S/C18H19N3O4S/c1-23-11-10-21-16(13-6-4-3-5-7-13)19-20-18(21)26-12-14-8-9-15(25-14)17(22)24-2/h3-9H,10-12H2,1-2H3
QOBFVJKIEPZWMU-UHFFFAOYSA-N
COCCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CC=CC=C3
C18H19N3O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
373.4 g/mol
Property Name
XLogP3-AA
Property Value
2.5
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
9
Property Name
Exact Mass
Property Value
373.10962727 g/mol
Property Name
Monoisotopic Mass
Property Value
373.10962727 g/mol
Property Name
Topological Polar Surface Area
Property Value
105 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
450
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