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

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

Formula: C31H35N3O5

SMILES: COC(=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: methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(4-tert-butylphenoxy)acetamido]benzoate

InChI: InChI=1S/C31H35N3O5/c1-31(2,3)24-11-13-25(14-12-24)39-21-28(35)32-26-20-23(30(37)38-4)10-15-27(26)33-16-18-34(19-17-33)29(36)22-8-6-5-7-9-22/h5-15,20H,16-19,21H2,1-4H3,(H,32,35)

Composition: C (70.30%), H (6.66%), N (7.93%), O (15.10%)

Molar Mass: 529.637

Atom Count: 74

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	529.257671239
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OTROUYLLYDKOKX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.99
Topological Polar Surface Area	88.18
Polarizability	57.39
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H35N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00