N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]propyl}-3,4-dimethoxybenzamide

N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]propyl}-3,4-dimethoxybenzamide

Formula: C19H21N3O5S

SMILES: COC1=CC=C(C=C1OC)C(=O)NCCCNC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]propyl}-3,4-dimethoxybenzamide

InChI: InChI=1S/C19H21N3O5S/c1-26-15-9-8-13(12-16(15)27-2)19(23)21-11-5-10-20-18-14-6-3-4-7-17(14)28(24,25)22-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,22)(H,21,23)

Composition: C (56.56%), H (5.25%), N (10.42%), O (19.83%), S (7.95%)

Molar Mass: 403.45

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	403.120191962
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	YBYNWCDQVZJCBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105
Topological Polar Surface Area	106.09
Polarizability	40.47
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00