Name: 5-(6-acetoxy-2-(3-(nicotinamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
CC(=O)Oc1ccc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4c(cnn4C(=O)[O-])c3)c2c1Molecular Processing
Molecular formula
C30H20N7O5-
Molecular weight
558.53
Exact mass
558.1531
XLogP
4.15
TPSA
164.05
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
42
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.033
Molar refractivity
152.28
Supplementary Information
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Involved in 3 reactions→