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

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

Formula: C26H28N4O3S2

SMILES: CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CS1

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

InChI: InChI=1S/C26H28N4O3S2/c1-2-16-33-22-6-3-5-19(18-22)24(31)28-26(34)27-20-8-10-21(11-9-20)29-12-14-30(15-13-29)25(32)23-7-4-17-35-23/h3-11,17-18H,2,12-16H2,1H3,(H2,27,28,31,34)

Composition: C (61.39%), H (5.55%), N (11.01%), O (9.44%), S (12.61%)

Molar Mass: 508.66

Atom Count: 63

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	508.160283126
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YHGCCJPLPKCCEI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.87
Topological Polar Surface Area	73.91
Polarizability	54.24
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H28N4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00