Nombre: 8-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,4,4-trimethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid methylamide
SMILES:
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2Molecular Processing
Molecular formula
C25H32N8O
Molecular weight
460.59
Exact mass
460.2699
XLogP
2.57
TPSA
91.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
133.79
Supplementary Information
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