3-(5-bromofuran-2-carbonyl)-1-[4-(4-methylpiperidin-1-ylsulfonyl)phenyl]thiourea

3-(5-bromofuran-2-carbonyl)-1-[4-(4-methylpiperidin-1-ylsulfonyl)phenyl]thiourea

Formula: C18H20BrN3O4S2

SMILES: CC1CCN(CC1)S(=O)(=O)C1=CC=C(NC(=S)NC(=O)C2=CC=C(Br)O2)C=C1

IUPAC: 3-(5-bromofuran-2-carbonyl)-1-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}thiourea

InChI: InChI=1S/C18H20BrN3O4S2/c1-12-8-10-22(11-9-12)28(24,25)14-4-2-13(3-5-14)20-18(27)21-17(23)15-6-7-16(19)26-15/h2-7,12H,8-11H2,1H3,(H2,20,21,23,27)

Composition: C (44.45%), H (4.14%), Br (16.43%), N (8.64%), O (13.16%), S (13.18%)

Molar Mass: 486.4

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	485.007861
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JZNPNZPYRJBUKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.26
Topological Polar Surface Area	91.65
Polarizability	44.58
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20BrN3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00