Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3,4-methylenedioxybenzyl)-1-piperazinethiocarboxamide
SMILES:
COc1cc2ncnc(N3CCN(C(=S)NCc4ccc5c(c4)OCO5)CC3)c2cc1OCMolecular Processing
Molecular formula
C23H25N5O4S
Molecular weight
467.55
Exact mass
467.1627
XLogP
2.57
TPSA
81.21
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
128.43
Supplementary Information
Details werden geladen…
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