CID 25413674
PubChem CID
25413674
Structure
Molecular Formula
Status
Non-live
Molecular Weight
435.5 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
(1R,2R,5S,6S,7S)-6-N-benzyl-2-N-cyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
InChI=1S/C25H29N3O4/c1-2-14-28-21(23(30)27-17-10-6-7-11-17)25-13-12-18(32-25)19(20(25)24(28)31)22(29)26-15-16-8-4-3-5-9-16/h2-5,8-9,12-13,17-21H,1,6-7,10-11,14-15H2,(H,26,29)(H,27,30)/t18-,19+,20+,21-,25+/m0/s1
ZVJNDYNNGZZHDZ-AIBHGQCCSA-N
C=CCN1[C@H]([C@]23C=C[C@H](O2)[C@H]([C@@H]3C1=O)C(=O)NCC4=CC=CC=C4)C(=O)NC5CCCC5
C25H29N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
435.5 g/mol
Property Name
XLogP3-AA
Property Value
1.3
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
7
Property Name
Exact Mass
Property Value
435.21580641 g/mol
Property Name
Monoisotopic Mass
Property Value
435.21580641 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.7 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
814
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
5
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
CONTENTS