methyl 2-({[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methyl}sulfanyl)benzoate

methyl 2-({[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methyl}sulfanyl)benzoate

CAS: 866049-18-5

Formula: C25H23NO4S

SMILES: COC(=O)C1=C(SCC2C(N(C2=O)C2=CC=C(OC)C=C2)C2=CC=CC=C2)C=CC=C1

IUPAC: methyl 2-({[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methyl}sulfanyl)benzoate

InChI: InChI=1/C25H23NO4S/c1-29-19-14-12-18(13-15-19)26-23(17-8-4-3-5-9-17)21(24(26)27)16-31-22-11-7-6-10-20(22)25(28)30-2/h3-15,21,23H,16H2,1-2H3

Composition: C (69.26%), H (5.35%), N (3.23%), O (14.76%), S (7.40%)

Molar Mass: 433.52

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	433.134779399
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LUWGBYIMLBXUNS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.9
Topological Polar Surface Area	55.84
Polarizability	47.33
Ring Count	4
Rotatable Bond Count	8

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90%	<2 Days	866049-18-5		$51.35-$86.31$51.35$63.37$86.31