3-(3-bromo-4-methoxybenzoyl)-1-[3-chloro-4-(piperidin-1-yl)phenyl]thiourea

3-(3-bromo-4-methoxybenzoyl)-1-[3-chloro-4-(piperidin-1-yl)phenyl]thiourea

Formula: C20H21BrClN3O2S

SMILES: COC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC=C(N2CCCCC2)C(Cl)=C1

IUPAC: 3-(3-bromo-4-methoxybenzoyl)-1-[3-chloro-4-(piperidin-1-yl)phenyl]thiourea

InChI: InChI=1S/C20H21BrClN3O2S/c1-27-18-8-5-13(11-15(18)21)19(26)24-20(28)23-14-6-7-17(16(22)12-14)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H2,23,24,26,28)

Composition: C (49.75%), H (4.38%), Br (16.55%), Cl (7.34%), N (8.70%), O (6.63%), S (6.64%)

Molar Mass: 482.82

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	481.022639
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SGVOLLBIAPZMOQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.29
Topological Polar Surface Area	53.6
Polarizability	45.94
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21BrClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00