2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}-2-oxoethyl 3-[(4-acetylphenyl)carbamoyl]propanoate

2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}-2-oxoethyl 3-[(4-acetylphenyl)carbamoyl]propanoate

Formula: C27H25NO8S

SMILES: CC(=O)C1=CC=C(NC(=O)CCC(=O)OCC(=O)C2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C=C1

IUPAC: 2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}-2-oxoethyl 3-[(4-acetylphenyl)carbamoyl]propanoate

InChI: InChI=1S/C27H25NO8S/c1-18-3-13-24(14-4-18)37(33,34)36-23-11-7-21(8-12-23)25(30)17-35-27(32)16-15-26(31)28-22-9-5-20(6-10-22)19(2)29/h3-14H,15-17H2,1-2H3,(H,28,31)

Composition: C (61.94%), H (4.81%), N (2.68%), O (24.45%), S (6.12%)

Molar Mass: 523.56

Atom Count: 62

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	523.130087943
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HNSDNZACAPMKKC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.81
Topological Polar Surface Area	132.91
Polarizability	52.93
Ring Count	3
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25NO8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00