3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(2,3-dichlorobenzoyl)thiourea

3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(2,3-dichlorobenzoyl)thiourea

Formula: C22H24Cl2N4O2S

SMILES: CCCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=CC=CC(Cl)=C2Cl)C=C1

IUPAC: 3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(2,3-dichlorobenzoyl)thiourea

InChI: InChI=1S/C22H24Cl2N4O2S/c1-2-4-19(29)28-13-11-27(12-14-28)16-9-7-15(8-10-16)25-22(31)26-21(30)17-5-3-6-18(23)20(17)24/h3,5-10H,2,4,11-14H2,1H3,(H2,25,26,30,31)

Composition: C (55.12%), H (5.05%), Cl (14.79%), N (11.69%), O (6.67%), S (6.69%)

Molar Mass: 479.42

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	478.0997026
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZOINASFJMUCJID-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	131.41
Topological Polar Surface Area	64.68
Polarizability	49.32
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24Cl2N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00