9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0²,?]tetradeca-1(14),3,5,8,10,12-hexaene

9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0²,?]tetradeca-1(14),3,5,8,10,12-hexaene

CAS: 1588521-78-1

Formula: C22H18ClN5O

SMILES: CC1=NN=C(CC2C=C(C3=CC=C(Cl)C=C3)C3=CC=CC=C3N3C(C)=NN=C23)O1

IUPAC: 9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0²,?]tetradeca-1(14),3,5,8,10,12-hexaene

InChI: InChI=1/C22H18ClN5O/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3

Composition: C (65.43%), H (4.49%), Cl (8.78%), N (17.34%), O (3.96%)

Molar Mass: 403.87

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	403.1199879
Formal Charge	0
FSP3	0.18
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AGYIAWHWIUZNSD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.51
Topological Polar Surface Area	69.63
Polarizability	42.52
Ring Count	5
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1588521-78-1		$159.00-$1,414.14$159.00$237.73$338.63$1,011.30$1,414.14