3-(4-butoxybenzoyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

3-(4-butoxybenzoyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

Formula: C27H30N4O3S2

SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CS1

IUPAC: 3-(4-butoxybenzoyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

InChI: InChI=1S/C27H30N4O3S2/c1-2-3-18-34-23-12-6-20(7-13-23)25(32)29-27(35)28-21-8-10-22(11-9-21)30-14-16-31(17-15-30)26(33)24-5-4-19-36-24/h4-13,19H,2-3,14-18H2,1H3,(H2,28,29,32,35)

Composition: C (62.04%), H (5.79%), N (10.72%), O (9.18%), S (12.27%)

Molar Mass: 522.68

Atom Count: 66

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	522.17593319
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MACDSZWJSLQEDI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	150.47
Topological Polar Surface Area	73.91
Polarizability	56.08
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H30N4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00