6,7-dibromo-5-methyl-2-(piperazin-1-yl)-1,3-diazatricyclo[6.3.1.0?,¹²]dodeca-2,4,6,8(12)-tetraene hydrochloride

6,7-dibromo-5-methyl-2-(piperazin-1-yl)-1,3-diazatricyclo[6.3.1.0?,¹²]dodeca-2,4,6,8(12)-tetraene hydrochloride

CAS: 1609452-30-3

Formula: C15H19Br2ClN4

SMILES: Cl.CC1=C2N=C(N3CCCC(=C23)C(Br)=C1Br)N1CCNCC1

IUPAC: 6,7-dibromo-5-methyl-2-(piperazin-1-yl)-1,3-diazatricyclo[6.3.1.0?,¹²]dodeca-2,4,6,8(12)-tetraene hydrochloride

InChI: InChI=1S/C15H18Br2N4.ClH/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20;/h18H,2-8H2,1H3;1H

Composition: C (39.98%), H (4.25%), Br (35.47%), Cl (7.87%), N (12.43%)

Molar Mass: 450.6

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	447.9665
Formal Charge	0
FSP3	0.53
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GQXLWUCQESKBSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.72
Topological Polar Surface Area	33.09
Polarizability	35.92
Ring Count	4
Rotatable Bond Count	1

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