N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

CAS: 865659-74-1

Formula: C19H20FN3O3

SMILES: FC1=CC=C(C=C1)N1CCN(CC1)C(=O)NC1=CC2=C(OCCO2)C=C1

IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

InChI: InChI=1S/C19H20FN3O3/c20-14-1-4-16(5-2-14)22-7-9-23(10-8-22)19(24)21-15-3-6-17-18(13-15)26-12-11-25-17/h1-6,13H,7-12H2,(H,21,24)

Composition: C (63.86%), H (5.64%), F (5.32%), N (11.76%), O (13.43%)

Molar Mass: 357.385

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	357.148869679
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MXNSRJJTBKFMMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.11
Topological Polar Surface Area	54.04
Polarizability	35.89
Ring Count	4
Rotatable Bond Count	2

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90%	<2 Days	865659-74-1		$51.35-$524.40$51.35$63.37$86.31$524.40