methyl 3-[(2E)-2-[(4-butoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

methyl 3-[(2E)-2-[(4-butoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

Formula: C28H27N3O7

SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=CC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NC1=CC=CC(=C1)C(=O)OC

IUPAC: methyl 3-[(2E)-2-[(4-butoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

InChI: InChI=1S/C28H27N3O7/c1-3-4-16-38-24-14-10-20(11-15-24)26(32)30-25(17-19-8-12-23(13-9-19)31(35)36)27(33)29-22-7-5-6-21(18-22)28(34)37-2/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,33)(H,30,32)/b25-17+

Composition: C (64.98%), H (5.26%), N (8.12%), O (21.64%)

Molar Mass: 517.538

Atom Count: 65

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	517.184900221
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZQDKSJTWHCKCMY-KOEQRZSOSA-N
Lipinski's Rule of Five
Molar Refractivity	143.76
Topological Polar Surface Area	136.87
Polarizability	53.18
Ring Count	3
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27N3O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00