Name: 8-[(1-acryloylpiperidin-4-yl)amino]-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILES:
C=CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(=O)Nc4c(CC)cccc4CC)nn2C)CC3)CC1Molecular Processing
Molecular formula
C29H35N7O2
Molecular weight
513.65
Exact mass
513.2852
XLogP
3.94
TPSA
105.04
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
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
0.414
Molar refractivity
148.21
Supplementary Information
Details werden geladen…
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