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181481-54-9 | PIPERAZINE, 1-[4-[[(2S)-3,3-DIETHYL-4-OXO-2-AZETIDINYL]OXY]BENZOYL]-4-METHYL- (9CI)
CAS No: 181481-54-9 Catalog No: AG0022WH MDL No:
Product Description
Catalog Number:
AG0022WH
Chemical Name:
PIPERAZINE, 1-[4-[[(2S)-3,3-DIETHYL-4-OXO-2-AZETIDINYL]OXY]BENZOYL]-4-METHYL- (9CI)
CAS Number:
181481-54-9
Molecular Formula:
C19H27N3O3
Molecular Weight:
345.4360
IUPAC Name:
(4S)-3,3-diethyl-4-[4-(4-methylpiperazine-1-carbonyl)phenoxy]azetidin-2-one
InChI:
InChI=1S/C19H27N3O3/c1-4-19(5-2)17(24)20-18(19)25-15-8-6-14(7-9-15)16(23)22-12-10-21(3)11-13-22/h6-9,18H,4-5,10-13H2,1-3H3,(H,20,24)/t18-/m0/s1
InChI Key:
KWUMOFXREQVFQW-SFHVURJKSA-N
SMILES:
CCC1(CC)C(=O)N[C@H]1Oc1ccc(cc1)C(=O)N1CCN(CC1)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
345.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.443g/mol
Monoisotopic Mass:
345.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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