N-(2-{5-methoxy-1,6,11-triazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-2,4,6,8,10,12,14-heptaen-8-yl}ethyl)furan-2-carboxamide

N-(2-{5-methoxy-1,6,11-triazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-2,4,6,8,10,12,14-heptaen-8-yl}ethyl)furan-2-carboxamide

CAS: 874484-20-5

Formula: C21H18N4O3

SMILES: COC1=CC=C2N3CC4=CC=CN=C4C3=C(CCNC(=O)C3=CC=CO3)C2=N1

IUPAC: N-(2-{5-methoxy-1,6,11-triazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-2,4,6,8,10,12,14-heptaen-8-yl}ethyl)furan-2-carboxamide

InChI: InChI=1S/C21H18N4O3/c1-27-17-7-6-15-19(24-17)14(8-10-23-21(26)16-5-3-11-28-16)20-18-13(12-25(15)20)4-2-9-22-18/h2-7,9,11H,8,10,12H2,1H3,(H,23,26)

Composition: C (67.37%), H (4.85%), N (14.96%), O (12.82%)

Molar Mass: 374.4

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	374.137890456
Formal Charge	0
FSP3	0.19
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XJIUMLVQBQKCJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.06
Topological Polar Surface Area	82.18
Polarizability	41.23
Ring Count	5
Rotatable Bond Count	5

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99.37%	<7 Days	874484-20-5		$140.25-$1,309.00$140.25$233.75$458.15$776.05$1,309.00

Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	874484-20-5		$220.15-$1,396.56$220.15$343.98$616.11$1,025.06$1,396.56