N-(6-methyl-1,3-benzothiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

Formula: C16H12N2O3S

SMILES: CC1=CC=C2N=C(NC(=O)C3=CC=C4OCOC4=C3)SC2=C1

IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

InChI: InChI=1S/C16H12N2O3S/c1-9-2-4-11-14(6-9)22-16(17-11)18-15(19)10-3-5-12-13(7-10)21-8-20-12/h2-7H,8H2,1H3,(H,17,18,19)

Composition: C (61.53%), H (3.87%), N (8.97%), O (15.37%), S (10.26%)

Molar Mass: 312.34

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	312.056863428
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LPVLSFKOPZRUBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.94
Topological Polar Surface Area	60.45
Polarizability	32.47
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00