(4-methoxyphenyl)methyl N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]carbamate

(4-methoxyphenyl)methyl N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]carbamate

CAS: 551920-87-7

Formula: C21H26N2O6S

SMILES: COC1=CC=C(COC(=O)NC2CCN(CC2)S(=O)(=O)C2=CC=C(OC)C=C2)C=C1

IUPAC: (4-methoxyphenyl)methyl N-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]carbamate

InChI: InChI=1S/C21H26N2O6S/c1-27-18-5-3-16(4-6-18)15-29-21(24)22-17-11-13-23(14-12-17)30(25,26)20-9-7-19(28-2)8-10-20/h3-10,17H,11-15H2,1-2H3,(H,22,24)

Composition: C (58.05%), H (6.03%), N (6.45%), O (22.09%), S (7.38%)

Molar Mass: 434.51

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	434.151157739
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JHFNXCDNLOUMJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112
Topological Polar Surface Area	94.17
Polarizability	44.34
Ring Count	3
Rotatable Bond Count	7

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90%	<2 Days	551920-87-7		$51.35-$86.31$51.35$63.37$86.31