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

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

Formula: C27H37N3O4

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

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

InChI: InChI=1S/C27H37N3O4/c1-6-29-14-16-30(17-15-29)24-13-8-20(26(32)33-7-2)18-23(24)28-25(31)19-34-22-11-9-21(10-12-22)27(3,4)5/h8-13,18H,6-7,14-17,19H2,1-5H3,(H,28,31)

Composition: C (69.35%), H (7.98%), N (8.99%), O (13.69%)

Molar Mass: 467.61

Atom Count: 71

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	467.278406683
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GOIKKMFIFYNDDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	137.55
Topological Polar Surface Area	71.11
Polarizability	52.01
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H37N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00