N-cycloheptyl-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide

N-cycloheptyl-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide

Formula: C16H22N2O3S

SMILES: [O-][N+](=O)C1=CC=C(CSCC(=O)NC2CCCCCC2)C=C1

IUPAC: N-cycloheptyl-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide

InChI: InChI=1S/C16H22N2O3S/c19-16(17-14-5-3-1-2-4-6-14)12-22-11-13-7-9-15(10-8-13)18(20)21/h7-10,14H,1-6,11-12H2,(H,17,19)

Composition: C (59.60%), H (6.88%), N (8.69%), O (14.89%), S (9.94%)

Molar Mass: 322.42

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.13511375
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YDXWJKVHNABSIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.44
Topological Polar Surface Area	72.24
Polarizability	34.15
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H22N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00