methyl 4-(4-benzylpiperazin-1-yl)-3-(2-methoxybenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(2-methoxybenzamido)benzoate

Formula: C27H29N3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=CC=C2OC)=C1

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

InChI: InChI=1S/C27H29N3O4/c1-33-25-11-7-6-10-22(25)26(31)28-23-18-21(27(32)34-2)12-13-24(23)30-16-14-29(15-17-30)19-20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)

Composition: C (70.57%), H (6.36%), N (9.14%), O (13.93%)

Molar Mass: 459.546

Atom Count: 63

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	459.215806426
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JUUJHTGZOWXQJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.17
Topological Polar Surface Area	71.11
Polarizability	50.61
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00