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720691-69-0

720691-69-0 | 1-(6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)oxy)pyridin-3-yl)pyrrolidin-2-one

CAS No: 720691-69-0 Catalog No: AG00IC7V MDL No:MFCD27922168

Product Description

Catalog Number:
AG00IC7V
Chemical Name:
1-(6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)oxy)pyridin-3-yl)pyrrolidin-2-one
CAS Number:
720691-69-0
Molecular Formula:
C23H27N3O2
Molecular Weight:
377.4794
MDL Number:
MFCD27922168
IUPAC Name:
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]pyrrolidin-2-one
InChI:
InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
InChI Key:
YFRBKEVUUCQYOW-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1
UNII:
4I7U5C459M

Properties

Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.21g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.488g/mol
Monoisotopic Mass:
377.21g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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