3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Formula: C16H15FN2O3S

SMILES: OC(=O)C1C2CCC(C2)C1C(=O)NC1=NC2=CC=C(F)C=C2S1

IUPAC: 3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

InChI: InChI=1/C16H15FN2O3S/c17-9-3-4-10-11(6-9)23-16(18-10)19-14(20)12-7-1-2-8(5-7)13(12)15(21)22/h3-4,6-8,12-13H,1-2,5H2,(H,21,22)(H,18,19,20)

Composition: C (57.47%), H (4.52%), F (5.68%), N (8.38%), O (14.35%), S (9.59%)

Molar Mass: 334.37

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	334.078741688
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JHRFGAILGZXLBJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.82
Topological Polar Surface Area	79.29
Polarizability	32.21
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15FN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00