3-pentanoyl-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

3-pentanoyl-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C18H24F3N3OS

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

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

InChI: InChI=1S/C18H24F3N3OS/c1-2-3-7-16(25)23-17(26)22-14-12-13(18(19,20)21)8-9-15(14)24-10-5-4-6-11-24/h8-9,12H,2-7,10-11H2,1H3,(H2,22,23,25,26)

Composition: C (55.80%), H (6.24%), F (14.71%), N (10.85%), O (4.13%), S (8.27%)

Molar Mass: 387.47

Atom Count: 50

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	387.159218068
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VBGVVZMTKCKDDS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	103.53
Topological Polar Surface Area	44.37
Polarizability	37.78
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H24F3N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00