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1245646-73-4 | 1-Piperazinecarboxylic acid, 4-[1-[(phenylmethoxy)carbonyl]-3-azetidinyl]-, 1,1-dimethylethyl ester
CAS No: 1245646-73-4 Catalog No: AG000MB0 MDL No:
Product Description
Catalog Number:
AG000MB0
Chemical Name:
1-Piperazinecarboxylic acid, 4-[1-[(phenylmethoxy)carbonyl]-3-azetidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1245646-73-4
Molecular Formula:
C20H29N3O4
Molecular Weight:
375.4620
IUPAC Name:
tert-butyl 4-(1-phenylmethoxycarbonylazetidin-3-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C20H29N3O4/c1-20(2,3)27-19(25)22-11-9-21(10-12-22)17-13-23(14-17)18(24)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChI Key:
LVBJQLYHGOSQEE-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)N1CCN(CC1)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.216g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.469g/mol
Monoisotopic Mass:
375.216g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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