Name: 2-(3-chloro-5-(piperazin-1-yl)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one
SMILES:
COc1cc(OC)c2c(=O)[nH]c(-c3cc(Cl)cc(N4CCNCC4)c3)nc2c1Molecular Processing
Molecular formula
C20H21ClN4O3
Molecular weight
400.87
Exact mass
400.1302
XLogP
2.67
TPSA
79.48
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
111
Supplementary Information
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