Home Halogens tert-Butyl 1-(2-chloropyridin-4-yl)-4,5-dihydro-1h-benzo[c]azepine-2(3h)-carboxylate

tert-Butyl 1-(2-chloropyridin-4-yl)-4,5-dihydro-1h-benzo[c]azepine-2(3h)-carboxylate

CAS No.:
1445951-02-9
Catalog Number:
AG00HX44
Molecular Formula:
C20H23ClN2O2
Molecular Weight:
358.8618
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Product Description
Catalog Number:
AG00HX44
Chemical Name:
tert-Butyl 1-(2-chloropyridin-4-yl)-4,5-dihydro-1h-benzo[c]azepine-2(3h)-carboxylate
CAS Number:
1445951-02-9
Molecular Formula:
C20H23ClN2O2
Molecular Weight:
358.8618
MDL Number:
MFCD25509367
IUPAC Name:
tert-butyl 1-(2-chloropyridin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
InChI:
InChI=1S/C20H23ClN2O2/c1-20(2,3)25-19(24)23-12-6-8-14-7-4-5-9-16(14)18(23)15-10-11-22-17(21)13-15/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3
InChI Key:
HJWPTFMPFCRBNZ-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1)C1N(CCCc2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.145g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.866g/mol
Monoisotopic Mass:
358.145g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties