N-[4-({[(5-chloro-2-methoxyphenyl)formamido]methanethioyl}amino)phenyl]butanamide

N-[4-({[(5-chloro-2-methoxyphenyl)formamido]methanethioyl}amino)phenyl]butanamide

Formula: C19H20ClN3O3S

SMILES: CCCC(=O)NC1=CC=C(NC(=S)NC(=O)C2=CC(Cl)=CC=C2OC)C=C1

IUPAC: N-[4-({[(5-chloro-2-methoxyphenyl)formamido]methanethioyl}amino)phenyl]butanamide

InChI: InChI=1S/C19H20ClN3O3S/c1-3-4-17(24)21-13-6-8-14(9-7-13)22-19(27)23-18(25)15-11-12(20)5-10-16(15)26-2/h5-11H,3-4H2,1-2H3,(H,21,24)(H2,22,23,25,27)

Composition: C (56.22%), H (4.97%), Cl (8.73%), N (10.35%), O (11.82%), S (7.90%)

Molar Mass: 405.9

Atom Count: 47

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	405.0913904
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	SKRCIBOFFXIMKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.18
Topological Polar Surface Area	79.46
Polarizability	42.12
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00