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

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

CAS: 351164-05-1

Formula: C17H23N3O3

SMILES: O=C1CC(CC(=O)C1=CNCCN1CCNCC1)C1=CC=CO1

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

InChI: InChI=1S/C17H23N3O3/c21-15-10-13(17-2-1-9-23-17)11-16(22)14(15)12-19-5-8-20-6-3-18-4-7-20/h1-2,9,12-13,18-19H,3-8,10-11H2/b14-12-

Composition: C (64.33%), H (7.30%), N (13.24%), O (15.12%)

Molar Mass: 317.389

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	317.173941613
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GUCSOEDMRXRYKW-OWBHPGMISA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.61
Topological Polar Surface Area	74.58
Polarizability	33.78
Ring Count	3
Rotatable Bond Count	5

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