4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

Formula: C29H33ClN2OS

SMILES: ClC1=CC=CC=C1CSCCNC(=O)C1=CC=C(CN2CCC(CC3=CC=CC=C3)CC2)C=C1

IUPAC: 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)benzamide

InChI: InChI=1S/C29H33ClN2OS/c30-28-9-5-4-8-27(28)22-34-19-16-31-29(33)26-12-10-25(11-13-26)21-32-17-14-24(15-18-32)20-23-6-2-1-3-7-23/h1-13,24H,14-22H2,(H,31,33)

Composition: C (70.64%), H (6.75%), Cl (7.19%), N (5.68%), O (3.24%), S (6.50%)

Molar Mass: 493.11

Atom Count: 67

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	492.2002126
Formal Charge	0
FSP3	0.34
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MPGVJKXWZFMCQP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.55
Topological Polar Surface Area	32.34
Polarizability	56.43
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H33ClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00