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

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

Formula: C27H29N3O3

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=CC=C2C)=C1

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

InChI: InChI=1S/C27H29N3O3/c1-20-8-6-7-11-23(20)26(31)28-24-18-22(27(32)33-2)12-13-25(24)30-16-14-29(15-17-30)19-21-9-4-3-5-10-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)

Composition: C (73.11%), H (6.59%), N (9.47%), O (10.82%)

Molar Mass: 443.547

Atom Count: 62

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	443.220891806
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HCTSCXJVERYBQL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.75
Topological Polar Surface Area	61.88
Polarizability	49.86
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00