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

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

Formula: C26H35N3O4

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)COC1=CC=C(C=C1)C(C)(C)C)C(=O)OC

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

InChI: InChI=1S/C26H35N3O4/c1-6-28-13-15-29(16-14-28)23-12-7-19(25(31)32-5)17-22(23)27-24(30)18-33-21-10-8-20(9-11-21)26(2,3)4/h7-12,17H,6,13-16,18H2,1-5H3,(H,27,30)

Composition: C (68.85%), H (7.78%), N (9.26%), O (14.11%)

Molar Mass: 453.583

Atom Count: 68

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	453.262756619
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BQPLWMNPEDRRTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	132.8
Topological Polar Surface Area	71.11
Polarizability	50.17
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H35N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00