3-(3-chloro-4-methoxybenzoyl)-1-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

3-(3-chloro-4-methoxybenzoyl)-1-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C20H19ClF3N3O2S

SMILES: COC1=CC=C(C=C1Cl)C(=O)NC(=S)NC1=CC(=CC=C1N1CCCC1)C(F)(F)F

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

InChI: InChI=1S/C20H19ClF3N3O2S/c1-29-17-7-4-12(10-14(17)21)18(28)26-19(30)25-15-11-13(20(22,23)24)5-6-16(15)27-8-2-3-9-27/h4-7,10-11H,2-3,8-9H2,1H3,(H2,25,26,28,30)

Composition: C (52.46%), H (4.18%), Cl (7.74%), F (12.45%), N (9.18%), O (6.99%), S (7.00%)

Molar Mass: 457.9

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	457.0838602
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RFSYCJBAJKAXMD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	117.04
Topological Polar Surface Area	53.6
Polarizability	42.45
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19ClF3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00