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

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

Formula: C21H16N2O5S

SMILES: COC1=CC=CC=C1C(=O)OC1=CC=C(NC2=NS(=O)(=O)C3=C2C=CC=C3)C=C1

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

InChI: InChI=1S/C21H16N2O5S/c1-27-18-8-4-2-6-16(18)21(24)28-15-12-10-14(11-13-15)22-20-17-7-3-5-9-19(17)29(25,26)23-20/h2-13H,1H3,(H,22,23)

Composition: C (61.76%), H (3.95%), N (6.86%), O (19.59%), S (7.85%)

Molar Mass: 408.43

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.077992797
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	CIMVXINUFLXUTC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.97
Topological Polar Surface Area	94.06
Polarizability	41.71
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00