4-chloro-N-[2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

4-chloro-N-[2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

Formula: C24H20ClN3O4S2

SMILES: COC1=CC=C(OC)C(NC(=O)CSC2=NC3=CC=C(NC(=O)C4=CC=C(Cl)C=C4)C=C3S2)=C1

IUPAC: 4-chloro-N-[2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

InChI: InChI=1S/C24H20ClN3O4S2/c1-31-17-8-10-20(32-2)19(12-17)27-22(29)13-33-24-28-18-9-7-16(11-21(18)34-24)26-23(30)14-3-5-15(25)6-4-14/h3-12H,13H2,1-2H3,(H,26,30)(H,27,29)

Composition: C (56.08%), H (3.92%), Cl (6.90%), N (8.18%), O (12.45%), S (12.47%)

Molar Mass: 514.01

Atom Count: 54

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	513.0583762
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LFWFADVAMDOOJG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	137.14
Topological Polar Surface Area	89.55
Polarizability	52.71
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H20ClN3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00