3-(2-methoxybenzoyl)-1-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

3-(2-methoxybenzoyl)-1-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C20H20F3N3O2S

SMILES: COC1=CC=CC=C1C(=O)NC(=S)NC1=CC(=CC=C1N1CCCC1)C(F)(F)F

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

InChI: InChI=1S/C20H20F3N3O2S/c1-28-17-7-3-2-6-14(17)18(27)25-19(29)24-15-12-13(20(21,22)23)8-9-16(15)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,24,25,27,29)

Composition: C (56.73%), H (4.76%), F (13.46%), N (9.92%), O (7.56%), S (7.57%)

Molar Mass: 423.45

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	423.122832559
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MPGDCJFAXCUAAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.23
Topological Polar Surface Area	53.6
Polarizability	40.49
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20F3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00