methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-chloro-1-benzothiophene-2-amido)benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-chloro-1-benzothiophene-2-amido)benzoate

Formula: C28H24ClN3O4S

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1

IUPAC: methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-chloro-1-benzothiophene-2-amido)benzoate

InChI: InChI=1S/C28H24ClN3O4S/c1-36-28(35)19-11-12-22(31-13-15-32(16-14-31)27(34)18-7-3-2-4-8-18)21(17-19)30-26(33)25-24(29)20-9-5-6-10-23(20)37-25/h2-12,17H,13-16H2,1H3,(H,30,33)

Composition: C (62.98%), H (4.53%), Cl (6.64%), N (7.87%), O (11.98%), S (6.00%)

Molar Mass: 534.03

Atom Count: 61

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	533.1176051
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QEBWGLYJAKPKHB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.97
Topological Polar Surface Area	78.95
Polarizability	55.66
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H24ClN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00