ethyl N-{[5-({[(ethoxycarbonyl)amino]methanethioyl}amino)-2-[(1E)-2-phenyldiazen-1-yl]phenyl]carbamothioyl}carbamate

ethyl N-{[5-({[(ethoxycarbonyl)amino]methanethioyl}amino)-2-[(1E)-2-phenyldiazen-1-yl]phenyl]carbamothioyl}carbamate

Formula: C20H22N6O4S2

SMILES: CCOC(=O)NC(=S)NC1=CC=C(N=NC2=CC=CC=C2)C(NC(=S)NC(=O)OCC)=C1

IUPAC: ethyl N-{[5-({[(ethoxycarbonyl)amino]methanethioyl}amino)-2-[(1E)-2-phenyldiazen-1-yl]phenyl]carbamothioyl}carbamate

InChI: InChI=1S/C20H22N6O4S2/c1-3-29-19(27)23-17(31)21-14-10-11-15(26-25-13-8-6-5-7-9-13)16(12-14)22-18(32)24-20(28)30-4-2/h5-12H,3-4H2,1-2H3,(H2,21,23,27,31)(H2,22,24,28,32)/b26-25+

Composition: C (50.62%), H (4.67%), N (17.71%), O (13.49%), S (13.51%)

Molar Mass: 474.55

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	474.11439556
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	APJMMIUTBCZEOH-OCEACIFDSA-N
Lipinski's Rule of Five
Molar Refractivity	135.31
Topological Polar Surface Area	125.44
Polarizability	49.26
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N6O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00