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N-{4-chloro-2-cyclohexyl-1H-pyrrolo[2,3-d]pyridazin-7-yl}cyclopropanecarboxamide

N-{4-chloro-2-cyclohexyl-1H-pyrrolo[2,3-d]pyridazin-7-yl}cyclopropanecarboxamide

CAS: 2803461-14-3

Formula: C16H19ClN4O

SMILES: ClC1=C2C=C(NC2=C(NC(=O)C2CC2)N=N1)C1CCCCC1

IUPAC: N-{4-chloro-2-cyclohexyl-1H-pyrrolo[2,3-d]pyridazin-7-yl}cyclopropanecarboxamide

InChI: InChI=1S/C16H19ClN4O/c17-14-11-8-12(9-4-2-1-3-5-9)18-13(11)15(21-20-14)19-16(22)10-6-7-10/h8-10,18H,1-7H2,(H,19,21,22)

Composition: C (60.28%), H (6.01%), Cl (11.12%), N (17.57%), O (5.02%)

Molar Mass: 318.81

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 318.1247389
Formal Charge 0
FSP3 0.56
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YSCLOPFWJPVENX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.44
Topological Polar Surface Area 70.67
Polarizability 33.8
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2803461-14-3 $227.70-$1,032.70$227.70$342.70$572.70$1,032.70
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