CID 45937478
PubChem CID
45937478
Structure
Molecular Formula
Status
Non-live
Molecular Weight
406.5 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
6-(4-aminophenyl)-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
InChI=1S/C23H26N4OS/c1-14-5-10-19(15(2)13-14)26-22(28)20-16(3)25-23-27(11-4-12-29-23)21(20)17-6-8-18(24)9-7-17/h5-10,13,21H,4,11-12,24H2,1-3H3,(H,26,28)
AMEARTXPTOTJSX-UHFFFAOYSA-N
CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N(C2C4=CC=C(C=C4)N)CCCS3)C)C
C23H26N4OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
406.5 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
406.18273264 g/mol
Property Name
Monoisotopic Mass
Property Value
406.18273264 g/mol
Property Name
Topological Polar Surface Area
Property Value
96 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
682
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
1
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