ethyl 4-(2-{[3-(benzylsulfanyl)-2-(phenylformamido)propanoyl]oxy}acetamido)benzoate

ethyl 4-(2-{[3-(benzylsulfanyl)-2-(phenylformamido)propanoyl]oxy}acetamido)benzoate

Formula: C28H28N2O6S

SMILES: CCOC(=O)C1=CC=C(NC(=O)COC(=O)C(CSCC2=CC=CC=C2)NC(=O)C2=CC=CC=C2)C=C1

IUPAC: ethyl 4-(2-{[3-(benzylsulfanyl)-2-(phenylformamido)propanoyl]oxy}acetamido)benzoate

InChI: InChI=1/C28H28N2O6S/c1-2-35-27(33)22-13-15-23(16-14-22)29-25(31)17-36-28(34)24(19-37-18-20-9-5-3-6-10-20)30-26(32)21-11-7-4-8-12-21/h3-16,24H,2,17-19H2,1H3,(H,29,31)(H,30,32)

Composition: C (64.60%), H (5.42%), N (5.38%), O (18.44%), S (6.16%)

Molar Mass: 520.6

Atom Count: 65

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	520.166807804
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HGMYXLGJGZMKLM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	143.56
Topological Polar Surface Area	110.8
Polarizability	54.7
Ring Count	3
Rotatable Bond Count	14

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00