ethyl 4-(4-acetylpiperazin-1-yl)-3-(2-methylbenzamido)benzoate

ethyl 4-(4-acetylpiperazin-1-yl)-3-(2-methylbenzamido)benzoate

Formula: C23H27N3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C2=CC=CC=C2C)=C1

IUPAC: ethyl 4-(4-acetylpiperazin-1-yl)-3-(2-methylbenzamido)benzoate

InChI: InChI=1S/C23H27N3O4/c1-4-30-23(29)18-9-10-21(26-13-11-25(12-14-26)17(3)27)20(15-18)24-22(28)19-8-6-5-7-16(19)2/h5-10,15H,4,11-14H2,1-3H3,(H,24,28)

Composition: C (67.46%), H (6.65%), N (10.26%), O (15.63%)

Molar Mass: 409.486

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	409.200156361
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XOPHPFLNHGULES-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.16
Topological Polar Surface Area	78.95
Polarizability	43.64
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H27N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00