4-chloro-N-(2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

4-chloro-N-(2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

Formula: C26H23ClN4O2S2

SMILES: ClC1=CC=C(C=C1)C(=O)NC1=CC=C2N=C(SCC(=O)N3CCN(CC3)C3=CC=CC=C3)SC2=C1

IUPAC: 4-chloro-N-(2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

InChI: InChI=1S/C26H23ClN4O2S2/c27-19-8-6-18(7-9-19)25(33)28-20-10-11-22-23(16-20)35-26(29-22)34-17-24(32)31-14-12-30(13-15-31)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,28,33)

Composition: C (59.70%), H (4.43%), Cl (6.78%), N (10.71%), O (6.12%), S (12.26%)

Molar Mass: 523.07

Atom Count: 58

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	522.095096
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XZRSHLGTXXSURY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.1
Topological Polar Surface Area	65.54
Polarizability	55.44
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H23ClN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00