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

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

Formula: C27H30N4O3S

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

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

InChI: InChI=1S/C27H30N4O3S/c1-27(2,3)20-8-6-19(7-9-20)24(32)29-26(35)28-21-10-12-22(13-11-21)30-14-16-31(17-15-30)25(33)23-5-4-18-34-23/h4-13,18H,14-17H2,1-3H3,(H2,28,29,32,35)

Composition: C (66.10%), H (6.16%), N (11.42%), O (9.78%), S (6.53%)

Molar Mass: 490.62

Atom Count: 65

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	490.203862016
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YDPMVZAFWKETFK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.3
Topological Polar Surface Area	77.82
Polarizability	53.53
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H30N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00