methyl 3-[(2E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamido]-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-[(2E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamido]-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C28H30ClN3O4

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)C=CC1=CC=C(O1)C1=CC=C(C)C(Cl)=C1)C(=O)OC

IUPAC: methyl 3-[(2E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamido]-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C28H30ClN3O4/c1-4-31-13-15-32(16-14-31)25-10-7-21(28(34)35-3)18-24(25)30-27(33)12-9-22-8-11-26(36-22)20-6-5-19(2)23(29)17-20/h5-12,17-18H,4,13-16H2,1-3H3,(H,30,33)/b12-9+

Composition: C (66.20%), H (5.95%), Cl (6.98%), N (8.27%), O (12.60%)

Molar Mass: 508.02

Atom Count: 66

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	507.1924842
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OVNHBUCMLXIRQP-FMIVXFBMSA-N
Lipinski's Rule of Five
Molar Refractivity	145.84
Topological Polar Surface Area	75.02
Polarizability	55.25
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H30ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00