Home Halogens tert-butyl N-{1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl}carbamate

tert-butyl N-{1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl}carbamate

CAS No.:
1989672-33-4
Catalog Number:
AG01B5AE
Molecular Formula:
C19H26ClN3O3
Molecular Weight:
379.8810
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Product Description
Catalog Number:
AG01B5AE
Chemical Name:
tert-butyl N-{1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl}carbamate
CAS Number:
1989672-33-4
Molecular Formula:
C19H26ClN3O3
Molecular Weight:
379.8810
MDL Number:
MFCD30342764
IUPAC Name:
tert-butyl N-[1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl]carbamate
InChI:
InChI=1S/C19H26ClN3O3/c1-18(2,3)26-17(25)21-19(8-9-19)16(24)23-12-10-22(11-13-23)15-6-4-14(20)5-7-15/h4-7H,8-13H2,1-3H3,(H,21,25)
InChI Key:
SVMYGYMTPNBKCF-UHFFFAOYSA-N
SMILES:
O=C(C1(CC1)NC(=O)OC(C)(C)C)N1CCN(CC1)c1ccc(cc1)Cl
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.166g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
379.885g/mol
Monoisotopic Mass:
379.166g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties