الاسم: rac-6-[(6-chloropyridin-3-yl)methyl]-3-[(3R,4R)-3-hydroxypiperidin-4-yl]benzo[h]quinazolin-4(3H)-one
SMILES:
O=c1c2cc(Cc3ccc(Cl)nc3)c3ccccc3c2ncn1[C@@H]1CCNC[C@H]1OMolecular Processing
Molecular formula
C23H21ClN4O2
Molecular weight
420.9
Exact mass
420.1353
XLogP
3.08
TPSA
80.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
118.09
Supplementary Information
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