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139329-22-9 | 1-Piperazinepentanoic acid, 4-(diphenylmethyl)-, ethyl ester
CAS No: 139329-22-9 Catalog No: AG001ARO MDL No:
Product Description
Catalog Number:
AG001ARO
Chemical Name:
1-Piperazinepentanoic acid, 4-(diphenylmethyl)-, ethyl ester
CAS Number:
139329-22-9
Molecular Formula:
C24H32N2O2
Molecular Weight:
380.5231
IUPAC Name:
ethyl 5-(4-benzhydrylpiperazin-1-yl)pentanoate
InChI:
InChI=1S/C24H32N2O2/c1-2-28-23(27)15-9-10-16-25-17-19-26(20-18-25)24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,24H,2,9-10,15-20H2,1H3
InChI Key:
DDKNITHKXIZNRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.246g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.532g/mol
Monoisotopic Mass:
380.246g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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