N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)acetamide

CAS: 491867-81-3

Formula: C21H23N3O4

SMILES: CC(=O)C1=C(NC(=O)CN2CCN(CC2)C2=CC=CC=C2)C=C2OCOC2=C1

IUPAC: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)acetamide

InChI: InChI=1S/C21H23N3O4/c1-15(25)17-11-19-20(28-14-27-19)12-18(17)22-21(26)13-23-7-9-24(10-8-23)16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)

Composition: C (66.13%), H (6.08%), N (11.02%), O (16.78%)

Molar Mass: 381.432

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	381.168856233
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	YWOKGGSWTRLOTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.07
Topological Polar Surface Area	71.11
Polarizability	40.32
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	491867-81-3		$51.35-$524.40$51.35$63.37$86.31$524.40