CID 45362010
PubChem CID
45362010
Structure
Molecular Formula
Status
Non-live
Molecular Weight
363.4 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
dimethyl 5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
InChI=1S/C18H25N3O5/c1-20-5-4-6-21(8-7-20)12-16(22)19-15-10-13(17(23)25-2)9-14(11-15)18(24)26-3/h9-11H,4-8,12H2,1-3H3,(H,19,22)
OOYRYSBHDIIILD-UHFFFAOYSA-N
CN1CCCN(CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
C18H25N3O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
363.4 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
363.17942091 g/mol
Property Name
Monoisotopic Mass
Property Value
363.17942091 g/mol
Property Name
Topological Polar Surface Area
Property Value
88.2 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
489
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
CONTENTS