5-(4-chlorophenyl)-2-({[2-(piperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione

5-(4-chlorophenyl)-2-({[2-(piperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione

CAS: 299935-27-6

Formula: C19H24ClN3O2

SMILES: ClC1=CC=C(C=C1)C1CC(=O)C(=CNCCN2CCNCC2)C(=O)C1

IUPAC: 5-(4-chlorophenyl)-2-({[2-(piperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione

InChI: InChI=1S/C19H24ClN3O2/c20-16-3-1-14(2-4-16)15-11-18(24)17(19(25)12-15)13-22-7-10-23-8-5-21-6-9-23/h1-4,13,15,21-22H,5-12H2/b17-13-

Composition: C (63.06%), H (6.69%), Cl (9.80%), N (11.61%), O (8.84%)

Molar Mass: 361.87

Atom Count: 49

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	361.1557047
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	UAALXVYGZKNODD-LGMDPLHJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.95
Topological Polar Surface Area	61.44
Polarizability	38.77
Ring Count	3
Rotatable Bond Count	5

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