2-methyl-N-{2,2,2-trichloro-1-[({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamothioyl)amino]ethyl}benzamide

2-methyl-N-{2,2,2-trichloro-1-[({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamothioyl)amino]ethyl}benzamide

Formula: C23H20Cl3N5OS

SMILES: CC1=CC=CC=C1C(=O)NC(NC(=S)NC1=CC=C(C=C1)N=NC1=CC=CC=C1)C(Cl)(Cl)Cl

IUPAC: 2-methyl-N-{2,2,2-trichloro-1-[({4-[(1E)-2-phenyldiazen-1-yl]phenyl}carbamothioyl)amino]ethyl}benzamide

InChI: InChI=1/C23H20Cl3N5OS/c1-15-7-5-6-10-19(15)20(32)28-21(23(24,25)26)29-22(33)27-16-11-13-18(14-12-16)31-30-17-8-3-2-4-9-17/h2-14,21H,1H3,(H,28,32)(H2,27,29,33)/b31-30+

Composition: C (53.04%), H (3.87%), Cl (20.42%), N (13.45%), O (3.07%), S (6.16%)

Molar Mass: 520.86

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	519.0454146
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	XCYVILKUOIUPNR-NVQSTNCTNA-N
Lipinski's Rule of Five
Molar Refractivity	144.6
Topological Polar Surface Area	77.88
Polarizability	52.5
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H20Cl3N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00