ethyl 4-{[1,1'-biphenyl]-4-yl}-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

ethyl 4-{[1,1'-biphenyl]-4-yl}-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

CAS: 1099644-42-4

Formula: C27H29NO3

SMILES: CCOC(=O)C1=C(C)NC2=C(C1C1=CC=C(C=C1)C1=CC=CC=C1)C(=O)CC(C)(C)C2

IUPAC: ethyl 4-{[1,1'-biphenyl]-4-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

InChI: InChI=1/C27H29NO3/c1-5-31-26(30)23-17(2)28-21-15-27(3,4)16-22(29)25(21)24(23)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h6-14,24,28H,5,15-16H2,1-4H3

Composition: C (78.04%), H (7.03%), N (3.37%), O (11.55%)

Molar Mass: 415.533

Atom Count: 60

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	415.214743798
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ULFUJLFTRWWLPO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.28
Topological Polar Surface Area	55.4
Polarizability	48.97
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1099644-42-4		$41.28-$199.51$41.28$61.92$86.38$130.71$199.51