CID 28522877
PubChem CID
28522877
Structure
Molecular Formula
Status
Non-live
Molecular Weight
363.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R)-2-(6-cyclohexyloxycarbonyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
InChI=1S/C17H20N2O5S/c1-9-12-14(18-8-19(15(12)20)10(2)16(21)22)25-13(9)17(23)24-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,21,22)/p-1/t10-/m1/s1
UFLJLVBYGBVTAC-SNVBAGLBSA-M
CC1=C(SC2=C1C(=O)N(C=N2)[C@H](C)C(=O)[O-])C(=O)OC3CCCCC3
C17H19N2O5S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
363.4 g/mol
Property Name
XLogP3-AA
Property Value
3.9
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
4
Property Name
Exact Mass
Property Value
363.10146788 g/mol
Property Name
Monoisotopic Mass
Property Value
363.10146788 g/mol
Property Name
Topological Polar Surface Area
Property Value
127 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
584
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
CONTENTS