propyl 2-(2-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

propyl 2-(2-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

Formula: C21H25NO4S

SMILES: CCCOC(=O)C1=C(NC(=O)C2=CC=CC=C2OC)SC2=C1CCCCC2

IUPAC: propyl 2-(2-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

InChI: InChI=1S/C21H25NO4S/c1-3-13-26-21(24)18-15-10-5-4-6-12-17(15)27-20(18)22-19(23)14-9-7-8-11-16(14)25-2/h7-9,11H,3-6,10,12-13H2,1-2H3,(H,22,23)

Composition: C (65.09%), H (6.50%), N (3.61%), O (16.52%), S (8.27%)

Molar Mass: 387.49

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	387.150429463
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MUOSBKGHUJGHSD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.64
Topological Polar Surface Area	64.63
Polarizability	40.57
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00