3-(3-bromo-4-methoxybenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

3-(3-bromo-4-methoxybenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C21H21BrF3N3O2S

SMILES: COC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC(=CC=C1N1CCCCC1)C(F)(F)F

IUPAC: 3-(3-bromo-4-methoxybenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C21H21BrF3N3O2S/c1-30-18-8-5-13(11-15(18)22)19(29)27-20(31)26-16-12-14(21(23,24)25)6-7-17(16)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3,(H2,26,27,29,31)

Composition: C (48.85%), H (4.10%), Br (15.47%), F (11.04%), N (8.14%), O (6.20%), S (6.21%)

Molar Mass: 516.38

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	515.048996
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RPHWFYSTRQBBLB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.46
Topological Polar Surface Area	53.6
Polarizability	45.24
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21BrF3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00