ethyl 4-(4-benzylpiperazin-1-yl)-3-(3-chlorobenzamido)benzoate

ethyl 4-(4-benzylpiperazin-1-yl)-3-(3-chlorobenzamido)benzoate

Formula: C27H28ClN3O3

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=CC(Cl)=C2)=C1

IUPAC: ethyl 4-(4-benzylpiperazin-1-yl)-3-(3-chlorobenzamido)benzoate

InChI: InChI=1S/C27H28ClN3O3/c1-2-34-27(33)22-11-12-25(24(18-22)29-26(32)21-9-6-10-23(28)17-21)31-15-13-30(14-16-31)19-20-7-4-3-5-8-20/h3-12,17-18H,2,13-16,19H2,1H3,(H,29,32)

Composition: C (67.85%), H (5.90%), Cl (7.42%), N (8.79%), O (10.04%)

Molar Mass: 477.99

Atom Count: 62

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	477.1819195
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YNYJLGDLMZSDLT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.26
Topological Polar Surface Area	61.88
Polarizability	51.8
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28ClN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00