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1119391-83-1 | 7,7-dimethyl-1-({[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one
CAS No: 1119391-83-1 Catalog No: AG00ITHN MDL No:MFCD04154126
Product Description
Catalog Number:
AG00ITHN
Chemical Name:
7,7-dimethyl-1-({[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one
CAS Number:
1119391-83-1
Molecular Formula:
C19H27N3O3S
Molecular Weight:
377.5010
MDL Number:
MFCD04154126
IUPAC Name:
7,7-dimethyl-1-[(4-pyridin-2-ylpiperazin-1-yl)sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C19H27N3O3S/c1-18(2)15-6-7-19(18,16(23)13-15)14-26(24,25)22-11-9-21(10-12-22)17-5-3-4-8-20-17/h3-5,8,15H,6-7,9-14H2,1-2H3
InChI Key:
PLCIJTPCTXSHBI-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccn1)(C)C
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.177g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.503g/mol
Monoisotopic Mass:
377.177g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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