CID 46053183
PubChem CID
46053183
Structure
Molecular Formula
Status
Non-live
Molecular Weight
382.4 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-fluorobenzamide
InChI=1S/C21H23FN4O2/c22-17-4-1-3-16(13-17)20(27)24-18-7-8-19(23-14-18)25-9-2-10-26(12-11-25)21(28)15-5-6-15/h1,3-4,7-8,13-15H,2,5-6,9-12H2,(H,24,27)
RVFQJYKRNUNUDE-UHFFFAOYSA-N
C1CN(CCN(C1)C(=O)C2CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)F
C21H23FN4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
382.4 g/mol
Property Name
XLogP3-AA
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
382.18050415 g/mol
Property Name
Monoisotopic Mass
Property Value
382.18050415 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.5 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
571
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
CONTENTS