ethyl 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetate

ethyl 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetate

CAS: 246870-46-2

Formula: C23H29ClN2O3

SMILES: CCOC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1

IUPAC: ethyl 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetate

InChI: InChI=1/C23H29ClN2O3/c1-2-29-22(27)18-28-17-16-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h3-11,23H,2,12-18H2,1H3

Composition: C (66.26%), H (7.01%), Cl (8.50%), N (6.72%), O (11.51%)

Molar Mass: 416.95

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	416.1866705
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ASHQTVRYHSZGQY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.38
Topological Polar Surface Area	42.01
Polarizability	45.81
Ring Count	3
Rotatable Bond Count	10

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