methyl 4-(4-acetylpiperazin-1-yl)-3-(naphthalene-2-amido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(naphthalene-2-amido)benzoate

Formula: C25H25N3O4

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

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(naphthalene-2-amido)benzoate

InChI: InChI=1S/C25H25N3O4/c1-17(29)27-11-13-28(14-12-27)23-10-9-21(25(31)32-2)16-22(23)26-24(30)20-8-7-18-5-3-4-6-19(18)15-20/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)

Composition: C (69.59%), H (5.84%), N (9.74%), O (14.83%)

Molar Mass: 431.492

Atom Count: 57

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	431.184506297
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XXOSKHUNDZZOAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.82
Topological Polar Surface Area	78.95
Polarizability	47.53
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00