CID 51391115
PubChem CID
51391115
Structure
Molecular Formula
Status
Non-live
Molecular Weight
378.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
methyl 12-methyl-4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
InChI=1S/C20H18N4O2S/c1-10-4-6-12(7-5-10)13-8-14(13)17-22-18-15-11(2)16(20(25)26-3)27-19(15)21-9-24(18)23-17/h4-7,9,13-14H,8H2,1-3H3/t13-,14-/m1/s1
KUSNVBHADIGVQQ-ZIAGYGMSSA-N
CC1=CC=C(C=C1)[C@H]2C[C@H]2C3=NN4C=NC5=C(C4=N3)C(=C(S5)C(=O)OC)C
C20H18N4O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
378.4 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
378.11504700 g/mol
Property Name
Monoisotopic Mass
Property Value
378.11504700 g/mol
Property Name
Topological Polar Surface Area
Property Value
97.6 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
584
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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