ethyl 4-(4-benzoylpiperazin-1-yl)-3-(thiophene-2-amido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(thiophene-2-amido)benzoate

Formula: C25H25N3O4S

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C2=CC=CS2)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(thiophene-2-amido)benzoate

InChI: InChI=1S/C25H25N3O4S/c1-2-32-25(31)19-10-11-21(20(17-19)26-23(29)22-9-6-16-33-22)27-12-14-28(15-13-27)24(30)18-7-4-3-5-8-18/h3-11,16-17H,2,12-15H2,1H3,(H,26,29)

Composition: C (64.78%), H (5.44%), N (9.07%), O (13.81%), S (6.92%)

Molar Mass: 463.55

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	463.156577471
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SBKIWVBPNOQBJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	130.68
Topological Polar Surface Area	78.95
Polarizability	48.1
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00