N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

Formula: C28H30FN3O2S

SMILES: FC1=CC=CC=C1C(=O)NC1=C(C(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=C(CCCCC2)S1

IUPAC: N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

InChI: InChI=1S/C28H30FN3O2S/c29-23-13-8-7-11-21(23)26(33)30-27-25(22-12-5-2-6-14-24(22)35-27)28(34)32-17-15-31(16-18-32)19-20-9-3-1-4-10-20/h1,3-4,7-11,13H,2,5-6,12,14-19H2,(H,30,33)

Composition: C (68.41%), H (6.15%), F (3.86%), N (8.55%), O (6.51%), S (6.52%)

Molar Mass: 491.63

Atom Count: 65

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	491.204276555
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CDDIMHFKWZCJOF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.63
Topological Polar Surface Area	52.65
Polarizability	52.02
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H30FN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00