methyl 4-(4-benzylpiperazin-1-yl)-3-(3-chloro-4-methylbenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(3-chloro-4-methylbenzamido)benzoate

Formula: C27H28ClN3O3

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

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(3-chloro-4-methylbenzamido)benzoate

InChI: InChI=1S/C27H28ClN3O3/c1-19-8-9-21(16-23(19)28)26(32)29-24-17-22(27(33)34-2)10-11-25(24)31-14-12-30(13-15-31)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(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	VNJDTBIOTVUEFL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.55
Topological Polar Surface Area	61.88
Polarizability	51.72
Ring Count	4
Rotatable Bond Count	7

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