CID 2603197
PubChem CID
2603197
Structure
Molecular Formula
Status
Non-live
Molecular Weight
425.3 g/mol
Dates
- Create:2005-07-16
Chemical Structure Depiction
(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
InChI=1S/C18H15Cl2FN4OS/c1-10(17(26)22-15-8-7-13(21)9-14(15)20)27-18-24-23-16(25(18)2)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,22,26)/t10-/m1/s1
ZJJFFPHMLHDSOV-SNVBAGLBSA-N
C[C@H](C(=O)NC1=C(C=C(C=C1)F)Cl)SC2=NN=C(N2C)C3=CC=C(C=C3)Cl
C18H15Cl2FN4OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
425.3 g/mol
Property Name
XLogP3-AA
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
424.0327658 g/mol
Property Name
Monoisotopic Mass
Property Value
424.0327658 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.1 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
512
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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