Name: 8-amino-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILES:
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(N)nc1-2Molecular Processing
Molecular formula
C21H24N6O
Molecular weight
376.46
Exact mass
376.2012
XLogP
2.94
TPSA
98.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
109.21
Supplementary Information
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