methyl 4-(4-benzylpiperazin-1-yl)-3-(thiophene-2-amido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(thiophene-2-amido)benzoate

Formula: C24H25N3O3S

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=CS2)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(thiophene-2-amido)benzoate

InChI: InChI=1S/C24H25N3O3S/c1-30-24(29)19-9-10-21(20(16-19)25-23(28)22-8-5-15-31-22)27-13-11-26(12-14-27)17-18-6-3-2-4-7-18/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)

Composition: C (66.19%), H (5.79%), N (9.65%), O (11.02%), S (7.36%)

Molar Mass: 435.54

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	435.161662851
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BNZXNSPBQLXLAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.6
Topological Polar Surface Area	61.88
Polarizability	46.76
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H25N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00