4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile

4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile

CAS: 1020252-72-5

Formula: C18H23N3O

SMILES: CC(C)(C)C(=O)C(=CN1CCN(CC1)C1=CC=CC=C1)C#N

IUPAC: 4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile

InChI: InChI=1S/C18H23N3O/c1-18(2,3)17(22)15(13-19)14-20-9-11-21(12-10-20)16-7-5-4-6-8-16/h4-8,14H,9-12H2,1-3H3

Composition: C (72.70%), H (7.80%), N (14.13%), O (5.38%)

Molar Mass: 297.402

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.184112373
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VJGONQMEEXXWOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.85
Topological Polar Surface Area	47.34
Polarizability	33.65
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	1020252-72-5		$51.35-$524.40$51.35$63.37$86.31$524.40