CID 41431138
PubChem CID
41431138
Structure
Molecular Formula
Status
Non-live
Molecular Weight
432.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2R)-2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
InChI=1S/C24H24N4O2S/c1-16-6-10-19(11-7-16)22-26-27-24(28(22)20-12-8-17(2)9-13-20)31-18(3)23(29)25-15-21-5-4-14-30-21/h4-14,18H,15H2,1-3H3,(H,25,29)/t18-/m1/s1
UDIIWLOMKCWQIC-GOSISDBHSA-N
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)S[C@H](C)C(=O)NCC4=CC=CO4
C24H24N4O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
432.5 g/mol
Property Name
XLogP3-AA
Property Value
4.7
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
7
Property Name
Exact Mass
Property Value
432.16199719 g/mol
Property Name
Monoisotopic Mass
Property Value
432.16199719 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.3 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
578
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
Old substance
Old substance
CONTENTS