3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(4-methylbenzoyl)thiourea

3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(4-methylbenzoyl)thiourea

Formula: C23H28N4O2S

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

IUPAC: 3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(4-methylbenzoyl)thiourea

InChI: InChI=1S/C23H28N4O2S/c1-3-4-21(28)27-15-13-26(14-16-27)20-11-9-19(10-12-20)24-23(30)25-22(29)18-7-5-17(2)6-8-18/h5-12H,3-4,13-16H2,1-2H3,(H2,24,25,29,30)

Composition: C (65.07%), H (6.65%), N (13.20%), O (7.54%), S (7.55%)

Molar Mass: 424.56

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	424.193297332
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WIPPOGFDNIREMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.84
Topological Polar Surface Area	64.68
Polarizability	47.28
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00