이름: 2-[4-(benzyloxycarbonyl)piperazin-1-yl]-4-[(1R,4S)-[4-[(RS)-(tetrahydropyran-2-yl)oxy]cyclopent-2-en-1-yl]oxy]quinazoline
SMILES:
O=C(OCc1ccccc1)N1CCN(c2nc(O[C@H]3C=C[C@@H](OC4CCCCO4)C3)c3ccccc3n2)CC1Molecular Processing
Molecular formula
C30H34N4O5
Molecular weight
530.63
Exact mass
530.2529
XLogP
4.71
TPSA
86.25
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
146.59
Supplementary Information
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