CID 31893185
PubChem CID
31893185
Structure
Molecular Formula
Status
Non-live
Molecular Weight
370.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
InChI=1S/C17H14N4O2S2/c1-9-3-4-10(2)14-13(9)20-17(25-14)19-12(22)7-21-8-18-15-11(16(21)23)5-6-24-15/h3-6,8H,7H2,1-2H3,(H,19,20,22)
BPQREEJMAZUHPJ-UHFFFAOYSA-N
CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CN3C=NC4=C(C3=O)C=CS4
C17H14N4O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
370.5 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
370.05581805 g/mol
Property Name
Monoisotopic Mass
Property Value
370.05581805 g/mol
Property Name
Topological Polar Surface Area
Property Value
131 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
587
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
Old substance
CONTENTS