ethyl 4-(4-ethylpiperazin-1-yl)-3-(3-methoxynaphthalene-2-amido)benzoate

ethyl 4-(4-ethylpiperazin-1-yl)-3-(3-methoxynaphthalene-2-amido)benzoate

Formula: C27H31N3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC)CC2)C(NC(=O)C2=CC3=CC=CC=C3C=C2OC)=C1

IUPAC: ethyl 4-(4-ethylpiperazin-1-yl)-3-(3-methoxynaphthalene-2-amido)benzoate

InChI: InChI=1S/C27H31N3O4/c1-4-29-12-14-30(15-13-29)24-11-10-21(27(32)34-5-2)17-23(24)28-26(31)22-16-19-8-6-7-9-20(19)18-25(22)33-3/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,28,31)

Composition: C (70.26%), H (6.77%), N (9.10%), O (13.87%)

Molar Mass: 461.562

Atom Count: 65

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.23145649
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	AWMABNLJPKJYFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	136.51
Topological Polar Surface Area	71.11
Polarizability	52.21
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H31N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00