3-(3,4-dimethylbenzoyl)-1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}thiourea

3-(3,4-dimethylbenzoyl)-1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}thiourea

Formula: C25H26N4O3S

SMILES: CC1=CC=C(C=C1C)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CO1

IUPAC: 3-(3,4-dimethylbenzoyl)-1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}thiourea

InChI: InChI=1S/C25H26N4O3S/c1-17-5-6-19(16-18(17)2)23(30)27-25(33)26-20-7-9-21(10-8-20)28-11-13-29(14-12-28)24(31)22-4-3-15-32-22/h3-10,15-16H,11-14H2,1-2H3,(H2,26,27,30,33)

Composition: C (64.91%), H (5.67%), N (12.11%), O (10.38%), S (6.93%)

Molar Mass: 462.57

Atom Count: 59

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	462.172561887
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WDUMBJWZMRBETK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.72
Topological Polar Surface Area	77.82
Polarizability	49.77
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H26N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00