CID 25272331
PubChem CID
25272331
Structure
Molecular Formula
Status
Non-live
Molecular Weight
320.4 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
propan-2-yl (4R)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
InChI=1S/C15H16N2O2S2/c1-8(2)19-15(18)12-9(3)17-14(20)10(7-16)13(12)11-5-4-6-21-11/h4-6,8,12-13,20H,1-3H3/t12?,13-/m1/s1
JPPQKWHECWWGOQ-ZGTCLIOFSA-N
CC1=NC(=C([C@@H](C1C(=O)OC(C)C)C2=CC=CS2)C#N)S
C15H16N2O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.4 g/mol
Property Name
XLogP3-AA
Property Value
2.4
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
4
Property Name
Exact Mass
Property Value
320.06532010 g/mol
Property Name
Monoisotopic Mass
Property Value
320.06532010 g/mol
Property Name
Topological Polar Surface Area
Property Value
91.7 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
545
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
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
CONTENTS