10-phenyl-N-[(pyridin-3-yl)methyl]-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxamide

10-phenyl-N-[(pyridin-3-yl)methyl]-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxamide

CAS: 1005095-04-4

Formula: C27H27N3O

SMILES: O=C(NCC1=CN=CC=C1)C1=CC2=C(NC(C3C4CCC(C4)C23)C2=CC=CC=C2)C=C1

IUPAC: 10-phenyl-N-[(pyridin-3-yl)methyl]-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxamide

InChI: InChI=1/C27H27N3O/c31-27(29-16-17-5-4-12-28-15-17)21-10-11-23-22(14-21)24-19-8-9-20(13-19)25(24)26(30-23)18-6-2-1-3-7-18/h1-7,10-12,14-15,19-20,24-26,30H,8-9,13,16H2,(H,29,31)

Composition: C (79.19%), H (6.65%), N (10.26%), O (3.91%)

Molar Mass: 409.533

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	5
Exact Mass	409.215412501
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HSJXOMZEPTVVQC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.99
Topological Polar Surface Area	54.02
Polarizability	46.91
Ring Count	6
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1005095-04-4		$37.03$37.03