N-[4-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]methanethioyl}amino)phenyl]acetamide

N-[4-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]methanethioyl}amino)phenyl]acetamide

Formula: C18H15Cl2N3O2S

SMILES: CC(=O)NC1=CC=C(NC(=S)NC(=O)C=CC2=CC=C(Cl)C=C2Cl)C=C1

IUPAC: N-[4-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]methanethioyl}amino)phenyl]acetamide

InChI: InChI=1S/C18H15Cl2N3O2S/c1-11(24)21-14-5-7-15(8-6-14)22-18(26)23-17(25)9-3-12-2-4-13(19)10-16(12)20/h2-10H,1H3,(H,21,24)(H2,22,23,25,26)/b9-3+

Composition: C (52.95%), H (3.70%), Cl (17.36%), N (10.29%), O (7.84%), S (7.85%)

Molar Mass: 408.3

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	407.0262033
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	PZFDBLCDCQXLEZ-YCRREMRBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.04
Topological Polar Surface Area	70.23
Polarizability	41.45
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15Cl2N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00