3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-1??,2-benzothiazole-1,1-dione

3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-1??,2-benzothiazole-1,1-dione

Formula: C22H19N3O3S

SMILES: O=C(N1CCN(CC1)C1=NS(=O)(=O)C2=C1C=CC=C2)C1=CC=CC2=CC=CC=C12

IUPAC: 3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C22H19N3O3S/c26-22(18-10-5-7-16-6-1-2-8-17(16)18)25-14-12-24(13-15-25)21-19-9-3-4-11-20(19)29(27,28)23-21/h1-11H,12-15H2

Composition: C (65.17%), H (4.72%), N (10.36%), O (11.84%), S (7.91%)

Molar Mass: 405.47

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	405.114712658
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	BADIGJXHAHUJHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.88
Topological Polar Surface Area	70.05
Polarizability	43.99
Ring Count	5
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00