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1-(3-chlorophenyl)-4-{4-[(2-methylprop-2-en-1-yl)oxy]benzoyl}piperazine

1-(3-chlorophenyl)-4-{4-[(2-methylprop-2-en-1-yl)oxy]benzoyl}piperazine

CAS: 915927-44-5

Formula: C21H23ClN2O2

SMILES: CC(=C)COC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC(Cl)=CC=C1

IUPAC: 1-(3-chlorophenyl)-4-{4-[(2-methylprop-2-en-1-yl)oxy]benzoyl}piperazine

InChI: InChI=1S/C21H23ClN2O2/c1-16(2)15-26-20-8-6-17(7-9-20)21(25)24-12-10-23(11-13-24)19-5-3-4-18(22)14-19/h3-9,14H,1,10-13,15H2,2H3

Composition: C (68.01%), H (6.25%), Cl (9.56%), N (7.55%), O (8.63%)

Molar Mass: 370.88

Atom Count: 49

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 370.1448057
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PNQTVOVMGNAWCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.19
Topological Polar Surface Area 32.78
Polarizability 40.19
Ring Count 3
Rotatable Bond Count 5

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