12-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

12-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

CAS: 848217-00-5

Formula: C16H17ClN4O

SMILES: CN1CCN(CC1)C1=NC(C)=NC2=C1OC1=C2C=C(Cl)C=C1

IUPAC: 12-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

InChI: InChI=1S/C16H17ClN4O/c1-10-18-14-12-9-11(17)3-4-13(12)22-15(14)16(19-10)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3

Composition: C (60.66%), H (5.41%), Cl (11.19%), N (17.69%), O (5.05%)

Molar Mass: 316.79

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	316.1090889
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GUJLUPNSRRNJKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.74
Topological Polar Surface Area	45.4
Polarizability	35.22
Ring Count	4
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	848217-00-5		$42.81-$600.82$42.81$61.15$96.31$171.99$330.22$600.82