ethyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-tert-butylphenoxy)acetamido]benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-tert-butylphenoxy)acetamido]benzoate

Formula: C32H37N3O5

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)COC2=CC=C(C=C2)C(C)(C)C)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-tert-butylphenoxy)acetamido]benzoate

InChI: InChI=1S/C32H37N3O5/c1-5-39-31(38)24-11-16-28(34-17-19-35(20-18-34)30(37)23-9-7-6-8-10-23)27(21-24)33-29(36)22-40-26-14-12-25(13-15-26)32(2,3)4/h6-16,21H,5,17-20,22H2,1-4H3,(H,33,36)

Composition: C (70.70%), H (6.86%), N (7.73%), O (14.71%)

Molar Mass: 543.664

Atom Count: 77

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	543.273321303
Formal Charge	0
FSP3	0.34
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HLSBQUDRAVHEDD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	157.74
Topological Polar Surface Area	88.18
Polarizability	59.23
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C32H37N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00