CID 31462568
PubChem CID
31462568
Structure
Molecular Formula
Status
Non-live
Molecular Weight
332.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(3R,7aS)-7a-methyl-5-oxo-N-[(2S)-4-phenylbutan-2-yl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
InChI=1S/C18H24N2O2S/c1-13(8-9-14-6-4-3-5-7-14)19-17(22)15-12-23-18(2)11-10-16(21)20(15)18/h3-7,13,15H,8-12H2,1-2H3,(H,19,22)/t13-,15-,18-/m0/s1
ROOVCXWTPMEDDP-YEWWUXTCSA-N
C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C
C18H24N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
332.5 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
332.15584919 g/mol
Property Name
Monoisotopic Mass
Property Value
332.15584919 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.7 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
464
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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