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AQ-RA 741

CAT: 0024-sc-203517ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-203517ASize:50 mg
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CAS Number
123548-16-3

Chemical Information

AQ-RA 741

11-[2-[4-[4-(diethylamino)butyl]-1-piperidinyl]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is a benzodiazepine.

CAS Number123548-16-3
PubChem CID129989
IUPAC Name11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular FormulaC27H37N5O2
Molecular Weight463.6
XLogP3.1
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity661
SMILES
CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)
InChIKey
BCUGCHZRMKTPMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AQ-RA 741
CAS: 123548-16-3
CID: 129989
Formula: C27H37N5O2
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass463.29472544
Monoisotopic Mass463.29472544
Topological Polar Surface Area68.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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