2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate

2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate

Formula: C24H22N2O5S

SMILES: COC1=CC=C(C=C1)C(=O)OCCN(C1=NS(=O)(=O)C2=C1C=CC=C2)C1=CC=CC(C)=C1

IUPAC: 2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate

InChI: InChI=1S/C24H22N2O5S/c1-17-6-5-7-19(16-17)26(23-21-8-3-4-9-22(21)32(28,29)25-23)14-15-31-24(27)18-10-12-20(30-2)13-11-18/h3-13,16H,14-15H2,1-2H3

Composition: C (63.99%), H (4.92%), N (6.22%), O (17.76%), S (7.12%)

Molar Mass: 450.51

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	450.12494299
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	VUVPUEKIRMLKDG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.56
Topological Polar Surface Area	85.27
Polarizability	47.16
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00