3-(4-tert-butylbenzoyl)-1-[4-(piperidin-1-ylmethyl)phenyl]thiourea

3-(4-tert-butylbenzoyl)-1-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Formula: C24H31N3OS

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C(CN2CCCCC2)C=C1

IUPAC: 3-(4-tert-butylbenzoyl)-1-{4-[(piperidin-1-yl)methyl]phenyl}thiourea

InChI: InChI=1S/C24H31N3OS/c1-24(2,3)20-11-9-19(10-12-20)22(28)26-23(29)25-21-13-7-18(8-14-21)17-27-15-5-4-6-16-27/h7-14H,4-6,15-17H2,1-3H3,(H2,25,26,28,29)

Composition: C (70.38%), H (7.63%), N (10.26%), O (3.91%), S (7.83%)

Molar Mass: 409.59

Atom Count: 60

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	409.218783804
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XLHGOLNHHGWGMX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.18
Topological Polar Surface Area	44.37
Polarizability	48.34
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H31N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00